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(5R,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-fluoro-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

View entire compound with spectra: 1 MS (GC)

(5R,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-fluoro-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SpectraBase Compound ID g9khFMd1ax
InChI InChI=1S/C29H45FO/c1-7-21(19(2)3)11-10-20(4)23-12-13-24-22-18-26(31)29(30)16-9-8-15-28(29,6)25(22)14-17-27(23,24)5/h8-11,19-25H,7,12-18H2,1-6H3/b11-10+/t20-,21-,22+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey YCZYVOZQEKONED-TXUFYBMNSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H45FO
Exact Mass 428.345444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INngRP553Ax
Name (5R,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-fluoro-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45FO
InChI InChI=1S/C29H45FO/c1-7-21(19(2)3)11-10-20(4)23-12-13-24-22-18-26(31)29(30)16-9-8-15-28(29,6)25(22)14-17-27(23,24)5/h8-11,19-25H,7,12-18H2,1-6H3/b11-10+/t20-,21-,22+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey YCZYVOZQEKONED-TXUFYBMNSA-N
Molecular Weight 428.676 g/mol
SMILES [C@@]12([C@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC=CC4)C)F)[H])(CC[C@@]1([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C
SPLASH splash10-0a4i-9022100000-b3cbdd95c66a293abc4c
Source of Spectrum F-56-6177-22
Synonyms (5R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-5-fluoranyl-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (5R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5-fluoro-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Wiley ID 858029