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17alpha-HYDROXYPROGESTERONE
SpectraBase Compound ID 74W78nXTtox
InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey DBPWSSGDRRHUNT-CEGNMAFCSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16VQZLTk8x5
Name 17.ALPHA.-HYDROXY-PREGN-4-ENE-3,20-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey DBPWSSGDRRHUNT-CEGNMAFCSA-N
Molecular Weight 330.468 g/mol
Nominal Mass 330 u
Number of Peaks 62
SMILES O[C@@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])C(C)=O
SPLASH splash10-000l-7493000000-1837f5ddc632d4a55f1a
Source File Reference LMCM-38221-903Y
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-HYDROXYPREGN-4-ENE-3,20-DIONE (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_249