methyl 3-[(8R,9S,13S,14S,17S)-17-acetyloxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[(8R,9S,13S,14S,17S)-17-acetyloxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[(8R,9S,13S,14S,17S)-17-acetoxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxo-propanoate CAS Name: 3-[(8R,9S,13S,14S,17S)-17-acetyloxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[(8R,9S,13S,14S,17S)-17-acetyloxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxopropanoate Traditional Name: 3-[(8R,9S,13S,14S,17S)-17-acetoxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-keto-propionic acid methyl ester Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C)C(=O)CC(=O)OC

Isomeric SMILES

CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C)C(=O)CC(=O)OC

InChI

InChI=1S/C25H32O6/c1-15(26)31-25(22(27)14-23(28)30-4)12-10-21-20-7-5-16-13-17(29-3)6-8-18(16)19(20)9-11-24(21,25)2/h6,8,13,19-21H,5,7,9-12,14H2,1-4H3/t19-,20-,21+,24+,25-/m1/s1