Gypsogenin 3-O-rhamnosylglucuronide

Molecular Formula: C₄₂H₆₄O₁₄

InChI: InChI=1/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1/f/h49,51H

InChIKey: InChIKey=OLFGQBKWRYLUAQ-ROSFIILNDB
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3CCC4(C(C3(C)C=O)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)C(=O)O)O)O)O)O

Names:
    C08952
    Gypsogenin 3-O-rhamnosylglucuronide
    (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxane-2-carboxylic acid
    110064-53-4

Registries:
    PubChem CID 441927
    PubChem ID 11144