phenacyl (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroxyimino-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Systemtic Name: phenacyl (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroxyimino-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate Openeye Name: phenacyl (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroxyimino-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate CAS Name: (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroxyimino-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid phenacyl ester IUPAC Name: phenacyl (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroxyimino-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate Traditional Name: (1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-hydroximino-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid phenacyl ester Formula: C38H53NO4 MolecularWeight: 587.83172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(=NO)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)OCC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC/C(=N\O)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C38H53NO4/c1-24(2)26-15-20-38(33(41)43-23-28(40)25-11-9-8-10-12-25)22-21-36(6)27(32(26)38)13-14-30-35(5)18-17-31(39-42)34(3,4)29(35)16-19-37(30,36)7/h8-12,26-27,29-30,32,42H,1,13-23H2,2-7H3/b39-31+/t26-,27+,29-,30+,32+,35-,36+,37+,38-/m0/s1