[(2R)-3-cyano-2-methyl-propyl] (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

Systemtic Name: [(2R)-3-cyano-2-methyl-propyl] (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate Openeye Name: [(2R)-3-cyano-2-methyl-propyl] (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetoxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate CAS Name: (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetyloxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid [(2R)-3-cyano-2-methylpropyl] ester IUPAC Name: [(2R)-3-cyano-2-methylpropyl] (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetyloxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate Traditional Name: (2S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-acetoxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propionic acid [(2R)-3-cyano-2-methyl-propyl] ester Formula: C29H43NO5 MolecularWeight: 485.65542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC#N)COC(=O)[C@@H](C)[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)O

InChI

InChI=1S/C29H43NO5/c1-17(10-13-30)16-34-27(33)18(2)26-25(32)15-24-22-7-6-20-14-21(35-19(3)31)8-11-28(20,4)23(22)9-12-29(24,26)5/h6,17-18,21-26,32H,7-12,14-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,28+,29+/m1/s1