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Androst-5-ene-17.beta.,19-diol, 3.alpha.-fluoro-, 17-acetate
SpectraBase Compound ID 8KW4iVikSpK
InChI InChI=1S/C21H31FO3/c1-13(24)25-19-6-5-17-16-4-3-14-11-15(22)7-10-21(14,12-23)18(16)8-9-20(17,19)2/h3,15-19,23H,4-12H2,1-2H3
InChIKey FYTMQWDYOXGIIB-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SMF8DP13gK
Name Androst-5-ene-17.beta.,19-diol, 3.alpha.-fluoro-, 17-acetate
Alternate Name(s) Androst-5-ene-17,19-diol, 17-acetate, (3.beta.,17.beta.)- 3-Fluoro-19-hydroxyandrost-5-en-17-yl acetate Acetic acid (3-fluoro-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Androst-5-ene-17.beta.,19-diol, 3.beta.-fluoro-, 17-acetate Acetic acid [3-fluoro-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [3-fluoro-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Registry Number 28344-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-13(24)25-19-6-5-17-16-4-3-14-11-15(22)7-10-21(14,12-23)18(16)8-9-20(17,19)2/h3,15-19,23H,4-12H2,1-2H3
InChIKey FYTMQWDYOXGIIB-UHFFFAOYSA-N
Molecular Weight 350.474 g/mol
SMILES OCC12C3C(C4C(CC3)(C)C(OC(C)=O)CC4)CC=C2CC(CC1)F
SPLASH splash10-0bt9-0296000000-4d0323950e0f89624cd2
Source of Spectrum O-4-354-1
Wiley ID 1342121