(1S,8aS)-1-(5-hydroxy-3-methyl-pentyl)-5,5,8a-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
Molecular Formula:
C26H44O9
InChI: InChI=1/C26H44O9/c1-14(10-12-27)5-7-16-15(23(32)33)6-8-18-25(2,3)19(9-11-26(16,18)4)35-24-22(31)21(30)20(29)17(13-28)34-24/h6,14,16-22,24,27-31H,5,7-13H2,1-4H3,(H,32,33)/t14u,16-,17-,18u,19?,20-,21+,22-,24+,26+/m1/s1/f/h32H
InChIKey: InChIKey=LTEZVUVZFATCKC-NFMZGZGUDK
SMILES: CC(CCC1C(=CCC2C1(CCC(C2(C)C)OC3C(C(C(C(O3)CO)O)O)O)C)C(=O)O)CCO
Names:
(1S,8aS)-1-(5-hydroxy-3-methyl-pentyl)-5,5,8a-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
Registries:
PubChem CID 10345884
PubChem ID 15357413
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