Mrv1533007131513222D 95106 0 0 1 0 999 V2000 2.8362 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 2.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6509 0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9235 -3.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1367 -0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 -4.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 1.5568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5425 -1.4808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4364 -1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2729 -2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1014 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 -0.9080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5552 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 -0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 3.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7677 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2981 -3.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 -1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -2.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 1.4156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4223 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 -2.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9891 -1.7764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7958 -2.6244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4691 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 -0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 -2.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 2.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 4.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1919 0.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 -4.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 2.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 3.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6342 -0.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7672 -2.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8947 -2.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3736 -2.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 0.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6738 -0.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 1.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 0.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 0.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -4.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 -1.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -0.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -0.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 0.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 -2.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 -1.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 -2.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 2.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 -1.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -0.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7065 0.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 -1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -3.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 2 0 0 0 0 14 7 2 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 1 1 0 0 0 0 17 2 2 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 3 1 0 0 0 0 22 8 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 24 23 1 0 0 0 0 25 13 1 0 0 0 0 26 15 2 0 0 0 0 27 25 1 0 0 0 0 29 28 1 0 0 0 0 31 26 1 1 0 0 0 31 30 1 0 0 0 0 32 27 2 0 0 0 0 32 28 1 0 0 0 0 33 29 2 0 0 0 0 33 30 1 0 0 0 0 34 16 2 0 0 0 0 34 17 1 0 0 0 0 35 18 2 0 0 0 0 36 19 2 0 0 0 0 37 20 2 0 0 0 0 38 23 2 0 0 0 0 38 35 1 0 0 0 0 39 24 2 0 0 0 0 39 36 1 0 0 0 0 40 25 2 0 0 0 0 40 37 1 0 0 0 0 41 27 1 0 0 0 0 42 28 2 0 0 0 0 43 29 1 0 0 0 0 44 30 2 0 0 0 0 45 41 2 0 0 0 0 45 42 1 0 0 0 0 46 43 2 0 0 0 0 46 44 1 0 0 0 0 47 9 1 1 0 0 0 47 21 1 0 0 0 0 48 10 2 0 0 0 0 48 26 1 0 0 0 0 49 22 1 0 0 0 0 50 31 1 0 0 0 0 51 49 1 0 0 0 0 51 50 1 0 0 0 0 52 11 1 0 0 0 0 53 13 1 0 0 0 0 54 12 1 0 0 0 0 55 33 1 0 0 0 0 56 32 1 0 0 0 0 57 14 1 0 0 0 0 58 15 1 0 0 0 0 59 16 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 19 1 0 0 0 0 63 20 1 0 0 0 0 21 64 1 1 0 0 0 65 34 1 0 0 0 0 66 35 1 0 0 0 0 67 36 1 0 0 0 0 68 37 1 0 0 0 0 69 38 1 0 0 0 0 70 39 1 0 0 0 0 71 40 1 0 0 0 0 72 41 1 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 44 1 0 0 0 0 76 45 1 0 0 0 0 77 46 1 0 0 0 0 78 52 2 0 0 0 0 79 53 2 0 0 0 0 80 54 2 0 0 0 0 81 55 2 0 0 0 0 82 56 2 0 0 0 0 83 8 1 0 0 0 0 83 52 1 0 0 0 0 84 22 1 0 0 0 0 84 53 1 0 0 0 0 85 47 1 0 0 0 0 85 48 1 0 0 0 0 86 49 1 0 0 0 0 86 54 1 0 0 0 0 87 50 1 0 0 0 0 87 55 1 0 0 0 0 88 51 1 0 0 0 0 88 56 1 0 0 0 0 21 89 1 6 0 0 0 22 90 1 1 0 0 0 31 91 1 1 0 0 0 47 92 1 1 0 0 0 49 93 1 1 0 0 0 50 94 1 1 0 0 0 51 95 1 1 0 0 0 M END > CHEM023898 > chemdb > [H][C@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)C(=C(O)C=C2O)[C@@]1([H])C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@@]1([H])[C@@]1([H])OC(=O)C2=C(C(O)=C(O)C(O)=C32)C2=C(O)C(O)=C(O)C=C2C(=O)O[C@]2([H])COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]12[H] > InChI=1S/C56H38O32/c57-14-7-15(58)26(48-10(14)3-21(64)47(85-48)9-1-16(59)34(65)17(60)2-9)31-30-33-29(43(74)46(77)44(30)75)28-32-27(41(72)45(76)42(28)73)25-13(6-20(63)37(68)40(25)71)53(79)84-22-8-83-52(78)11-4-18(61)35(66)38(69)23(11)24-12(5-19(62)36(67)39(24)70)54(80)86-49(22)51(88-56(32)82)50(31)87-55(33)81/h1-2,4-7,21-22,31,47,49-51,57-77H,3,8H2/t21-,22+,31?,47+,49-,50+,51-/m0/s1 > RAGDRWAJGDFGKH-UZOKVCPJSA-N > C56H38O32 > 1222.888 > 1222.134619064 > 27 > 126 > 108.13137304259502 > 0 > 21 > 0 > 0 > (1R,2S,20R,42R,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > 3.30 > 3.9620024026666663 > -2.49 > 0 > 12 > -1 > 7.575685965652073 > 7.152492371373074 > -6.176142614261178 > 565.5600000000002 > 285.9681999999998 > 2 > 0 > 3.99e+00 g/l > (1R,2S,20R,42R,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone > 0 > Eugenigrandin A > 145826-25-1 $$$$