[2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-keto-2-[(8R,9S,10R,13S,14S)-3-methoxy-13-methyl-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1=CCC2C1(CCC3C2CC=C4C3CCC(=C4)OC)C

Isomeric SMILES

CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC)C

InChI

InChI=1S/C23H30O4/c1-14(24)27-13-22(25)21-9-8-20-19-6-4-15-12-16(26-3)5-7-17(15)18(19)10-11-23(20,21)2/h4,9,12,17-20H,5-8,10-11,13H2,1-3H3/t17-,18+,19+,20-,23-/m0/s1