[17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-ethoxypropanoate

Systemtic Name: [17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-ethoxypropanoate Openeye Name: [17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid [17-(2-acetyloxy-1-oxoethyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [17-(2-acetoxyacetyl)-11-hydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C29H40O8 MolecularWeight: 516.6231

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=O)C

Isomeric SMILES

CCOCCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=O)C

InChI

InChI=1S/C29H40O8/c1-6-35-12-9-25(34)37-29(24(33)16-36-18(3)30)11-8-21-20-13-17(2)22-14-19(31)7-10-27(22,4)26(20)23(32)15-28(21,29)5/h7,10,14,17,20-21,23,26,32H,6,8-9,11-13,15-16H2,1-5H3