[2-(4-azidophenyl)-2-oxidanylidene-ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: [2-(4-azidophenyl)-2-oxidanylidene-ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: [2-(4-azidophenyl)-2-oxo-ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid [2-(4-azidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid [2-(4-azidophenyl)-2-keto-ethyl] ester Formula: C32H45N3O4 MolecularWeight: 535.7174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC(=O)C1=CC=C(C=C1)N=[N+]=[N-])C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C

Isomeric SMILES

C[C@H](CCC(=O)OCC(=O)C1=CC=C(C=C1)N=[N+]=[N-])[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C

InChI

InChI=1S/C32H45N3O4/c1-20(4-13-30(38)39-19-29(37)21-5-8-23(9-6-21)34-35-33)26-11-12-27-25-10-7-22-18-24(36)14-16-31(22,2)28(25)15-17-32(26,27)3/h5-6,8-9,20,22,24-28,36H,4,7,10-19H2,1-3H3/t20-,22-,24-,25+,26-,27+,28+,31+,32-/m1/s1