Thevetin B

Molecular Formula: C₄₂H₆₆O₁₈

InChI: InChI=1/C42H66O18/c1-18-28(45)35(53-4)36(60-38-34(51)32(49)30(47)26(59-38)17-55-37-33(50)31(48)29(46)25(15-43)58-37)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23u,24u,25+,26+,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-/m0/s1

InChIKey: InChIKey=QWNHCYWCKDKDMK-DLSXLCKBBD
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)OC)O

Names:
    BRN 1279318
    Cerberoside
    Cerberosid [German]
    Cerbroside
    Thevetin B
    11005-70-2
    4-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2S,3R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
    5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-
    5-beta-CARD-20(22)-ENOLIDE, 3-beta-((O-beta-D-GLUCOPYRANOSYL-(1-6)-O-beta-D-GLUC

Registries:
    PubChem CID 25437
    PubChem ID 168175