[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methyl-carbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(3S,8R,9S,10R,13S,14S)-17-[(1E)-1-hydroxyiminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(3S,8R,9S,10R,13S,14S)-17-acetohydroximoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC=O)C)C

Isomeric SMILES

C/C(=N\O)/C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C

InChI

InChI=1S/C22H31NO3/c1-14(23-25)18-6-7-19-17-5-4-15-12-16(26-13-24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,6,13,16-17,19-20,25H,5,7-12H2,1-3H3/b23-14+/t16-,17-,19-,20-,21-,22+/m0/s1