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(3S,5S,8R,9S,10S,13S,14S,16R)-16-fluoranyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

View entire compound with spectra: 2 MS (GC)

(3S,5S,8R,9S,10S,13S,14S,16R)-16-fluoranyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 3AeowuiRBcr
InChI InChI=1S/C19H29FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey SRDUIZPBSBBLDC-JUAXIXHSSA-N
Mol Weight 308.44 g/mol
Molecular Formula C19H29FO2
Exact Mass 308.215158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yHFQrfUAK
Name (3S,5S,8R,9S,10S,13S,14S,16R)-16-fluoranyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29FO2
InChI InChI=1S/C19H29FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey SRDUIZPBSBBLDC-JUAXIXHSSA-N
Molecular Weight 308.437 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(C[C@](C4=O)(F)[H])[H])C)[H])C)[H]
SPLASH splash10-0api-9440000000-82020e500d3ef39c2d8e
Source of Spectrum SO-0-2614-30
Synonyms (3S,5S,8R,9S,10S,13S,14S,16R)-16-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Wiley ID 864554