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3.alpha.-Fluoro-5.beta.-pregnan-20-one
SpectraBase Compound ID 8eVJVSgGCTF
InChI InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey QJXBAUPOZIECOH-YZRLXODZSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H33FO
Exact Mass 320.251544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAqh2wTxIQq
Name 3.alpha.-Fluoro-5.beta.-pregnan-20-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33FO
InChI InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey QJXBAUPOZIECOH-YZRLXODZSA-N
Molecular Weight 320.492 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](F)(C4)[H])C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-05a6-9223000000-ae280fb4d083b36c1824
Source of Spectrum G-73-1833-18
Wiley ID 1693144