Mrv1572004261604262D 133146 0 0 0 0 999 V2000 13.3627 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7801 -1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1512 -6.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2853 -7.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0730 -6.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4933 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -7.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -7.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3476 -4.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 -3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3713 -5.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0190 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3901 -6.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2355 -3.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1632 -6.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -6.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -5.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 -4.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -3.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8849 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8074 -6.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9415 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8929 -6.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3008 -2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 -7.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5439 -7.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -4.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0794 -2.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0039 -4.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 -3.9321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0171 -5.0510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9152 -5.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7853 -4.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -6.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 -5.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9511 -6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 -5.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2286 0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7026 -7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2240 -5.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8506 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -7.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -5.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 -7.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3184 -2.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8991 -5.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7352 -4.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -4.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -7.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 -5.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 -6.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -5.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2135 -3.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8698 -3.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 -4.6878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1219 -4.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8684 -4.7788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4656 -3.7327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3796 -4.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7045 -4.0511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9142 -2.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7338 -6.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8970 -6.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2323 -3.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3681 -6.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4404 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -5.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -4.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2872 -3.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5997 -4.8694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8113 0.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6460 -0.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5685 -6.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8367 -8.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3818 -7.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5586 -1.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 -8.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 -8.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -3.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1843 -1.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3335 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3589 -8.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0440 -5.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6582 -3.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3929 -8.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -5.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9805 -8.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6621 -1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 -6.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0663 -4.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4136 -3.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -7.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 -6.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -6.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7384 -6.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4524 -3.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1531 -2.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9727 -6.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1416 -7.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 -3.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 -6.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4277 -2.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 -4.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 -5.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1824 -4.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 -2.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 -3.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0721 -6.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 -4.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 -3.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2560 -5.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8183 -5.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 -3.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 -2.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5373 -5.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -4.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0483 -3.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8386 -5.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 -4.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8318 -4.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -4.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8775 -4.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -5.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2267 -3.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 -4.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8094 -3.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -3.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9434 -4.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 2 0 0 0 0 14 2 1 0 0 0 0 15 3 2 0 0 0 0 15 4 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 7 2 0 0 0 0 19 8 2 0 0 0 0 20 9 2 0 0 0 0 21 11 2 0 0 0 0 22 10 2 0 0 0 0 23 1 1 0 0 0 0 24 2 2 0 0 0 0 25 3 1 0 0 0 0 26 4 2 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 11 1 0 0 0 0 34 12 1 0 0 0 0 35 13 1 0 0 0 0 36 16 1 0 0 0 0 37 17 1 0 0 0 0 37 36 1 0 0 0 0 38 19 1 0 0 0 0 39 20 1 0 0 0 0 39 38 1 0 0 0 0 40 18 1 0 0 0 0 41 21 1 0 0 0 0 41 40 1 0 0 0 0 42 23 2 0 0 0 0 42 24 1 0 0 0 0 43 25 2 0 0 0 0 43 26 1 0 0 0 0 44 27 2 0 0 0 0 45 28 2 0 0 0 0 46 30 2 0 0 0 0 47 31 2 0 0 0 0 48 29 2 0 0 0 0 49 32 2 0 0 0 0 50 33 2 0 0 0 0 51 36 2 0 0 0 0 51 44 1 0 0 0 0 52 37 2 0 0 0 0 52 45 1 0 0 0 0 53 38 2 0 0 0 0 53 46 1 0 0 0 0 54 39 2 0 0 0 0 54 47 1 0 0 0 0 55 40 2 0 0 0 0 55 48 1 0 0 0 0 56 41 2 0 0 0 0 56 50 1 0 0 0 0 57 49 1 0 0 0 0 58 22 1 0 0 0 0 58 57 2 0 0 0 0 59 34 1 0 0 0 0 60 35 1 0 0 0 0 61 59 1 0 0 0 0 62 60 1 0 0 0 0 63 61 1 0 0 0 0 64 62 1 0 0 0 0 65 14 1 0 0 0 0 66 15 1 0 0 0 0 67 16 1 0 0 0 0 68 21 1 0 0 0 0 69 18 1 0 0 0 0 70 17 1 0 0 0 0 71 19 1 0 0 0 0 72 20 1 0 0 0 0 73 22 1 0 0 0 0 74 63 1 0 0 0 0 75 64 1 0 0 0 0 76 23 1 0 0 0 0 77 24 1 0 0 0 0 78 25 1 0 0 0 0 79 26 1 0 0 0 0 80 27 1 0 0 0 0 81 28 1 0 0 0 0 82 29 1 0 0 0 0 83 30 1 0 0 0 0 84 31 1 0 0 0 0 85 32 1 0 0 0 0 86 42 1 0 0 0 0 87 43 1 0 0 0 0 88 44 1 0 0 0 0 89 45 1 0 0 0 0 90 46 1 0 0 0 0 91 47 1 0 0 0 0 92 48 1 0 0 0 0 93 49 1 0 0 0 0 94 50 1 0 0 0 0 95 51 1 0 0 0 0 96 52 1 0 0 0 0 97 53 1 0 0 0 0 98 54 1 0 0 0 0 99 55 1 0 0 0 0 100 56 1 0 0 0 0 101 57 1 0 0 0 0 102 65 2 0 0 0 0 103 66 2 0 0 0 0 104 67 2 0 0 0 0 105 68 2 0 0 0 0 106 69 2 0 0 0 0 107 70 2 0 0 0 0 108 71 2 0 0 0 0 109 72 2 0 0 0 0 110 73 2 0 0 0 0 111 74 1 0 0 0 0 112 12 1 0 0 0 0 112 68 1 0 0 0 0 113 13 1 0 0 0 0 113 67 1 0 0 0 0 114 33 1 0 0 0 0 114 58 1 0 0 0 0 115 34 1 0 0 0 0 115 74 1 0 0 0 0 116 35 1 0 0 0 0 116 75 1 0 0 0 0 117 59 1 0 0 0 0 117 69 1 0 0 0 0 118 60 1 0 0 0 0 118 70 1 0 0 0 0 62119 1 6 0 0 0 119 65 1 0 0 0 0 120 61 1 0 0 0 0 120 71 1 0 0 0 0 121 63 1 0 0 0 0 121 72 1 0 0 0 0 64122 1 1 0 0 0 122 73 1 0 0 0 0 123 66 1 0 0 0 0 75123 1 6 0 0 0 34124 1 6 0 0 0 35125 1 1 0 0 0 59126 1 1 0 0 0 60127 1 6 0 0 0 61128 1 6 0 0 0 62129 1 1 0 0 0 63130 1 1 0 0 0 64131 1 6 0 0 0 132 74 1 0 0 0 0 75133 1 1 0 0 0 M END > CHEM034317 > chemdb > [H]C1(O)O[C@@]2([H])COC(=O)C3=CC(OC4=C(O)C(O)=C(O)C=C4C(=O)O[C@]4([H])[C@@]([H])(OC(=O)C5=CC(O)=C(O)C(O)=C5)O[C@@]5([H])COC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)O[C@]5([H])[C@@]4([H])OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]2([H])[C@@]2([H])OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]12[H] > InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(123-66(103)15-3-25(78)43(87)26(79)4-15)64(62)122-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2/t34-,35-,59-,60-,61+,62+,63-,64-,74?,75+/m0/s1 > DHSNCFWMRQXVQT-IMOWDGEUSA-N > C75H52O48 > 1721.193 > 1720.162803434 > 38 > 175 > 151.66523273822986 > 0 > 27 > 0 > 0 > (10S,11R,12S,13R,15S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(1S,2R,19S,22S)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoate > 3.94 > 6.048901843666666 > -2.86 > 1 > 14 > -2 > 7.207238921191603 > 6.551985720866377 > -5.910949245356108 > 810.6000000000008 > 389.16559999999924 > 11 > 0 > 2.36e+00 g/l > (10S,11R,12S,13R,15S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(1S,2R,19S,22S)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoate > 0 > Camellioferin A > 159935-08-7 $$$$