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(8R,9S,10S,13S,14S,16R,17S)-16-fluoranyl-10,13-dimethyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID IonX1aZxCww
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/h11,13-17,22H,3-10H2,1-2H3/t11?,13-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey LNSIGBRLIFKJTK-IYCOMNCJSA-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 2bxQJM7ZJqP
Name (8R,9S,10S,13S,14S,16R,17S)-16-fluoranyl-10,13-dimethyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-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/h11,13-17,22H,3-10H2,1-2H3/t11?,13-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey LNSIGBRLIFKJTK-IYCOMNCJSA-N
Molecular Weight 308.437 g/mol
SMILES O[C@@]1([C@@](C[C@]2([C@@]3(CCC4CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])(F)[H])[H]
SPLASH splash10-05v0-0191000000-bdfb6e6abc87e5a0fce1
Source of Spectrum E1-35-2123-2
Synonyms (8R,9S,10S,13S,14S,16R,17S)-16-fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1574261