Mrv1572004261603052D 72 80 0 0 0 0 999 V2000 4.2289 3.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 4.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8939 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7212 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 3.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1441 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6735 -1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7785 5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5669 -1.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 0.5843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0674 -2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 -3.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 -2.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -2.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -3.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 5.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4901 -2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 -2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 -2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7931 -3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1303 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 1.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0993 0.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3735 -3.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 -2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 1.8381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5763 3.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8483 -1.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 -4.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 4.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 6.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3166 -1.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -1.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 5.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1631 -2.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6523 -2.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6636 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 -3.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5499 -4.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 -1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2243 -5.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5778 -0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7519 0.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 3.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 -0.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5111 -1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -4.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9236 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4223 -0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 1.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3975 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 -4.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 -0.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 0.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3967 -0.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0267 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 19 18 1 0 0 0 0 20 16 2 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 21 19 1 0 0 0 0 22 9 2 0 0 0 0 22 10 1 0 0 0 0 23 11 2 0 0 0 0 24 12 2 0 0 0 0 25 14 2 0 0 0 0 25 23 1 0 0 0 0 26 15 2 0 0 0 0 26 24 1 0 0 0 0 27 16 1 0 0 0 0 28 17 1 0 0 0 0 29 27 2 0 0 0 0 30 28 2 0 0 0 0 32 13 1 0 0 0 0 32 31 1 0 0 0 0 33 18 2 0 0 0 0 33 29 1 0 0 0 0 34 19 2 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 6 1 0 0 0 0 37 7 1 0 0 0 0 38 8 1 0 0 0 0 39 20 1 0 0 0 0 40 21 1 0 0 0 0 41 35 1 0 0 0 0 42 9 1 0 0 0 0 43 10 1 0 0 0 0 44 11 1 0 0 0 0 45 12 1 0 0 0 0 46 22 1 0 0 0 0 47 23 1 0 0 0 0 48 24 1 0 0 0 0 49 25 1 0 0 0 0 50 26 1 0 0 0 0 51 27 1 0 0 0 0 52 28 1 0 0 0 0 53 29 1 0 0 0 0 54 30 1 0 0 0 0 31 55 1 1 0 0 0 56 36 2 0 0 0 0 57 37 2 0 0 0 0 58 38 2 0 0 0 0 59 39 2 0 0 0 0 60 40 2 0 0 0 0 61 41 1 0 0 0 0 62 5 1 0 0 0 0 62 37 1 0 0 0 0 63 13 1 0 0 0 0 63 41 1 0 0 0 0 64 32 1 0 0 0 0 64 38 1 0 0 0 0 65 34 1 0 0 0 0 65 39 1 0 0 0 0 66 33 1 0 0 0 0 66 40 1 0 0 0 0 35 67 1 6 0 0 0 67 36 1 0 0 0 0 13 68 1 6 0 0 0 31 69 1 6 0 0 0 32 70 1 1 0 0 0 35 71 1 1 0 0 0 72 41 1 0 0 0 0 M END > CHEM032543 > chemdb > [H]C1(O)O[C@@]2([H])COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C6C(C(=O)OC(C(O)=C3O)=C46)=C(C(O)=C5O)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]2([H])[C@@]([H])(O)[C@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)32-13(63-41(35)61)5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32)4-12(45)24(48)26(15)50/h1-4,13,31-32,35,41-55,61H,5H2/t13-,31+,32-,35-,41?/m0/s1 > GXNAJCYGMNREKO-GFXAMQMTSA-N > C41H26O26 > 934.633 > 934.071230957 > 21 > 93 > 83.32200385530673 > 0 > 15 > 0 > 0 > (10R,11R,12S,15S)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0²,⁷.0¹⁰,¹⁵.0¹⁹,²⁴.0²⁵,³⁴.0²⁸,³³.0³²,³⁷]nonatriaconta-1(31),2,4,6,19,21,23,25(34),26,28(33),32(37),38-dodecaen-12-yl 3,4,5-trihydroxybenzoate > 2.83 > 3.085153943 > -2.73 > 0 > 9 > -3 > 5.7980031702633505 > 5.118363256640279 > -4.81547093964877 > 444.18000000000006 > 211.98150000000015 > 3 > 0 > 1.74e+00 g/l > (10R,11R,12S,15S)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0²,⁷.0¹⁰,¹⁵.0¹⁹,²⁴.0²⁵,³⁴.0²⁸,³³.0³²,³⁷]nonatriaconta-1(31),2,4,6,19,21,23,25(34),26,28(33),32(37),38-dodecaen-12-yl 3,4,5-trihydroxybenzoate > 0 > 2-O-Galloylpunicalin > 103488-45-5 $$$$