(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,9S,12aR,14aR,14bS)-8a-carboxy-9-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxane-2-carboxylic acid
Molecular Formula:
C41H64O14
InChI: InChI=1/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1/f/h48,50H
InChIKey: InChIKey=FOCJYVVPFHSVGZ-DOLCLMPIDB
SMILES: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C(=O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C
Names:
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,9S,12aR,14aR,14bS)-8a-carboxy-9-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxane-2-carboxylic acid
Registries:
PubChem CID 177398
PubChem ID 10258613
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