Desglucomusennin

Molecular Formula: C₄₅H₇₂O₁₆

InChI: InChI=1/C45H72O16/c1-40(2)14-15-45(39(54)55)22(16-40)21-8-9-27-42(5)12-11-29(41(3,4)26(42)10-13-43(27,6)44(21,7)17-28(45)49)59-37-34(31(51)24(47)19-57-37)61-38-35(32(52)25(48)20-58-38)60-36-33(53)30(50)23(46)18-56-36/h8,22-38,46-53H,9-20H2,1-7H3,(H,54,55)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,42-,43+,44+,45+/m0/s1/f/h54H

InChIKey: InChIKey=TVXISIJXIXGTQS-YLOJFCIGDO
SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)C(=O)O)C

Names:
    C08940
    Desglucomusennin
    (4aR,5R,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    25314-45-8

Registries:
    PubChem CID 441918
    PubChem ID 11132