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3beta-Acetyloxy-17-(4'-fluorophenyl)-5alpha-androst-16-en
SpectraBase Compound ID BqcCrdgSSmC
InChI InChI=1S/C27H35FO2/c1-17(29)30-21-12-14-26(2)19(16-21)6-9-22-24-11-10-23(18-4-7-20(28)8-5-18)27(24,3)15-13-25(22)26/h4-5,7-8,10,19,21-22,24-25H,6,9,11-16H2,1-3H3/t19-,21-,22-,24-,25-,26-,27+/m0/s1
InChIKey GLLPBEXAHTWKOQ-LNMHATJRSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H35FO2
Exact Mass 410.262109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8C1hcwlS7s
Name 3beta-Acetyloxy-17-(4'-fluorophenyl)-5alpha-androst-16-en
Alternate Name(s) (3S,5S,8R,9S,10S,13S,14S)-17-(4-fluorophenyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35FO2
InChI InChI=1S/C27H35FO2/c1-17(29)30-21-12-14-26(2)19(16-21)6-9-22-24-11-10-23(18-4-7-20(28)8-5-18)27(24,3)15-13-25(22)26/h4-5,7-8,10,19,21-22,24-25H,6,9,11-16H2,1-3H3/t19-,21-,22-,24-,25-,26-,27+/m0/s1
InChIKey GLLPBEXAHTWKOQ-LNMHATJRSA-N
Molecular Weight 410.573 g/mol
SMILES C1C[C@]2([C@](C[C@]1(OC(C)=O)[H])(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2c1ccc(cc1)F)[H])C)[H])[H])[H])C
SPLASH splash10-01t9-0092100000-52ae3369f3905c851717
Source of Spectrum ASC-359-832/SM28-5b
Wiley ID 1807826