Spectrum4_001918

Molecular Formula: C41H60O16


InChI: InChI=1/C41H60O16/c1-37(2)21-8-11-40(5)18-7-10-38(3)13-14-39(4,36(52)53)16-19(38)17(18)15-20(42)31(40)41(21,6)12-9-22(37)54-34-27(47)25(45)28(30(57-34)33(50)51)55-35-26(46)23(43)24(44)29(56-35)32(48)49/h15,18-19,21-31,34-35,43-47H,7-14,16H2,1-6H3,(H,48,49)(H,50,51)(H,52,53)/t18u,19-,21u,22-,23-,24-,25+,26+,27+,28-,29-,30-,31u,34+,35+,38-,39-,40-,41-/m0/s1/f/h48,50,52H

InChIKey: InChIKey=XIERBHJSURBWRC-OHBDCKJNDV
SMILES: CC1(C2CCC3(C4CCC5(CCC(CC5C4=CC(=O)C3C2(CCC1OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C)(C)C(=O)O)C)C)C

Names:
    Spectrum4_001918
    (2S,3S,4R,5R,6R)-6-[[(3S,6aS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,8a,11,14b-hexamethyl-14-oxo-1,2,3,4a,5,6,6b,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 6710673
    PubChem ID 11493732