[2-[(1S,2R,6S,7aS)-7a-methyl-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-1,2,6-tris(oxidanyl)-5-oxidanylidene-2,3,6,7-tetrahydroinden-1-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(1S,2R,6S,7aS)-7a-methyl-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-1,2,6-tris(oxidanyl)-5-oxidanylidene-2,3,6,7-tetrahydroinden-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(1S,2R,6S,7aS)-1,2,6-trihydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydroinden-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(1S,2R,6S,7aS)-1,2,6-trihydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydroinden-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,6S,7aS)-1,2,6-trihydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydroinden-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(1S,2R,6S,7aS)-1,2,6-trihydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-5-keto-7a-methyl-2,3,6,7-tetrahydroinden-1-yl]-2-keto-ethyl] ester Formula: C23H28O8 MolecularWeight: 432.46362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)CCC2=C3CC(C(C3(CC(C2=O)O)C)(C(=O)COC(=O)C)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)O)CCC2=C3C[C@H]([C@@]([C@]3(C[C@@H](C2=O)O)C)(C(=O)COC(=O)C)O)O

InChI

InChI=1S/C23H28O8/c1-12-4-6-15(25)8-14(12)5-7-16-17-9-19(27)23(30,20(28)11-31-13(2)24)22(17,3)10-18(26)21(16)29/h4,6,8,18-19,25-27,30H,5,7,9-11H2,1-3H3/t18-,19+,22-,23-/m0/s1