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

Molecular Formula: C42H66O15


InChI: InChI=1/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22-,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,34+,35-,37-,38-,39+,40-,41-,42-/m1/s1/f/h50,52H

InChIKey: InChIKey=FXYSHYMHTAACSV-XECKIHSADG
SMILES: CC12CCC(CC1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)(C)C(=O)O

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

Registries:
    PubChem CID 10123436
    PubChem ID 15111970