methyl (E)-3-[(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]prop-2-enoate CAS Name: (E)-3-[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]prop-2-enoate Traditional Name: (E)-3-[(8S,9S,10R,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]acrylic acid methyl ester Formula: C25H34O4 MolecularWeight: 398.53506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4=C(C(=O)CCC34C)C=CC(=O)OC)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)/C=C/C(=O)OC)C

InChI

InChI=1S/C25H34O4/c1-15(26)18-8-9-19-16-5-7-20-17(6-10-23(28)29-4)22(27)12-14-25(20,3)21(16)11-13-24(18,19)2/h6,10,16,18-19,21H,5,7-9,11-14H2,1-4H3/b10-6+/t16-,18+,19-,21-,24+,25-/m0/s1