[2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 3-methoxypropanoate

Systemtic Name: [2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 3-methoxypropanoate Openeye Name: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 3-methoxypropanoate CAS Name: 3-methoxypropanoic acid [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester IUPAC Name: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-methoxypropanoate Traditional Name: 3-methoxypropionic acid [2-(11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethyl] ester Formula: C25H36O7 MolecularWeight: 448.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCOC)O)C)O

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCOC)O)C)O

InChI

InChI=1S/C25H36O7/c1-23-9-6-16(26)12-15(23)4-5-17-18-7-10-25(30,24(18,2)13-19(27)22(17)23)20(28)14-32-21(29)8-11-31-3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3