Excoecarianin

Structural Information

Molecular Formula

C₈₂H₅₆O₅₃

SMILES

C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=C(C(=C(C(=C8)C9=C(C(=C(C=C9C(=O)O1)OC1=C(C(=C(C=C1C(=O)O[C@@H]1[C@@H]2C(C(COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O)O)O[C@H]1OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C82H56O53/c83-27-1-16(2-28(84)48(27)96)69(109)127-62-38-14-122-72(112)20-8-33(89)51(99)57(105)42(20)43-21(9-34(90)52(100)58(43)106)74(114)129-65(62)68(80(125-38)134-71(111)18-5-31(87)50(98)32(88)6-18)132-78(118)26-11-35(91)53(101)60(108)61(26)124-37-12-23-41(56(104)55(37)103)19-7-25(47(95)59(107)46(19)94)77(117)130-66-63-39(15-123-73(23)113)126-79(133-70(110)17-3-29(85)49(97)30(86)4-17)67(66)131-75(115)22-10-36(92)54(102)64-44(22)45-24(76(116)128-63)13-40(93)82(121,135-64)81(45,119)120/h1-13,38-39,45,62-63,65-68,79-80,83-92,94-108,119-121H,14-15H2/t38?,39-,45+,62?,63-,65+,66+,67-,68-,79+,80+,82-/m1/s1

InChIKey

JJMRKVLBKOCIOU-XCWBZALMSA-N

Compound name

[(1S,21S,22R)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,23-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl] 2-[[(11R,13S,14R,23R,25S,31R,32S)-3,4,19,20,24,24,25,36,37,38-decahydroxy-8,16,26,29,34-pentaoxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,12,15,30,33,40-hexaoxaoctacyclo[33.3.1.121,25.02,7.011,31.014,32.017,22.023,28]tetraconta-1(39),2,4,6,17,19,21,27,35,37-decaen-5-yl]oxy]-3,4,5-trihydroxybenzoate

Related CIDs

• CID 49774003