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(8S,9S,11S,13S,14S,16R)-16-chloranyl-11-ethoxy-13-methyl-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)

(8S,9S,11S,13S,14S,16R)-16-chloranyl-11-ethoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID FSrlhQ9s8ju
InChI InChI=1S/C20H25ClO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-18,22H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,20-/m0/s1
InChIKey UFPKXMFJVQAKCT-FMWJIXOUSA-N
Mol Weight 348.87 g/mol
Molecular Formula C20H25ClO3
Exact Mass 348.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ebGlYKJ5jM
Name (8S,9S,11S,13S,14S,16R)-16-chloranyl-11-ethoxy-13-methyl-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 C20H25ClO3
InChI InChI=1S/C20H25ClO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-18,22H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,20-/m0/s1
InChIKey UFPKXMFJVQAKCT-FMWJIXOUSA-N
Molecular Weight 348.870 g/mol
SMILES Oc1ccc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OCC)[H])=O)(Cl)[H])[H])[H]
SPLASH splash10-06r2-0096000000-1563341847a96f95e7eb
Source of Spectrum E1-36-269-12
Synonyms (8S,9S,11S,13S,14S,16R)-16-chloro-11-ethoxy-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574613