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(7R,8R,9S,13S,14S,16S)-16-chloranyl-7,13-dimethyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(7R,8R,9S,13S,14S,16S)-16-chloranyl-7,13-dimethyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 95mx2yiPPds
InChI InChI=1S/C19H23ClO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h3-4,8,10,14-17,21H,5-7,9H2,1-2H3/t10-,14-,15+,16+,17-,19+/m1/s1
InChIKey CGZPVORRXXNPTB-IVLFBUFLSA-N
Mol Weight 318.84 g/mol
Molecular Formula C19H23ClO2
Exact Mass 318.138658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5YrjjqGVKF
Name (7R,8R,9S,13S,14S,16S)-16-chloranyl-7,13-dimethyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClO2
InChI InChI=1S/C19H23ClO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h3-4,8,10,14-17,21H,5-7,9H2,1-2H3/t10-,14-,15+,16+,17-,19+/m1/s1
InChIKey CGZPVORRXXNPTB-IVLFBUFLSA-N
Molecular Weight 318.844 g/mol
SMILES Oc1ccc2c(c1)C[C@]([C@]1([C@@]3(C[C@@](C([C@@]3(C)CC[C@]21[H])=O)(Cl)[H])[H])[H])(C)[H]
SPLASH splash10-03xr-0095000000-a7dacf97c832caedba49
Source of Spectrum E1-36-269-13
Synonyms (7R,8R,9S,13S,14S,16S)-16-chloro-3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574616