(3S,10R,13S)-17-(7-chloranyl-6-methyl-3-oxidanylidene-heptan-2-yl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

Systemtic Name: (3S,10R,13S)-17-(7-chloranyl-6-methyl-3-oxidanylidene-heptan-2-yl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one Openeye Name: (3S,10R,13S)-17-(6-chloro-1,5-dimethyl-2-oxo-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one CAS Name: (3S,10R,13S)-17-(7-chloro-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one IUPAC Name: (3S,10R,13S)-17-(7-chloro-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one Traditional Name: (3S,10R,13S)-17-(6-chloro-2-keto-1,5-dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one Formula: C27H41ClO3 MolecularWeight: 449.06564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CCC(=O)C(C)C1C(=O)CC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CCl

InChI

InChI=1S/C27H41ClO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,29H,5,7-15H2,1-4H3/t16?,17?,19-,20?,21?,22?,25?,26-,27-/m0/s1