[9-chloranyl-6,10,13,16-tetramethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Systemtic Name: [9-chloranyl-6,10,13,16-tetramethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [9-chloro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid (9-chloro-17-glycoloyl-11-hydroxy-3-keto-6,10,13,16-tetramethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C27H37ClO6 MolecularWeight: 493.03208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)Cl)O)C)C)C(=O)CO

Isomeric SMILES

CCCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)Cl)O)C)C)C(=O)CO

InChI

InChI=1S/C27H37ClO6/c1-6-7-23(33)34-27(22(32)14-29)16(3)11-19-20-10-15(2)18-12-17(30)8-9-24(18,4)26(20,28)21(31)13-25(19,27)5/h8-9,12,15-16,19-21,29,31H,6-7,10-11,13-14H2,1-5H3