[(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetyloxy-17-[(Z,2S)-5-azanyl-6-methyl-3-oxidanylidene-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetyloxy-17-[(Z,2S)-5-azanyl-6-methyl-3-oxidanylidene-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetoxy-17-[(Z,1S)-4-amino-1,5-dimethyl-2-oxo-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetyloxy-17-[(Z,2S)-5-amino-6-methyl-3-oxohept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetyloxy-17-[(Z,2S)-5-amino-6-methyl-3-oxohept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetoxy-17-[(Z,1S)-4-amino-2-keto-1,5-dimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H47NO5 MolecularWeight: 513.70858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C31H47NO5/c1-17(2)26(32)16-27(35)18(3)29-28(37-20(5)34)15-25-23-9-8-21-14-22(36-19(4)33)10-12-30(21,6)24(23)11-13-31(25,29)7/h8,16-18,22-25,28-29H,9-15,32H2,1-7H3/b26-16-/t18-,22+,23-,24+,25+,28-,29+,30+,31+/m1/s1