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11β-Hydroxyprogesterone
SpectraBase Compound ID 32sqb7PN3Ce
InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey BFZHCUBIASXHPK-ATWVFEABSA-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 BbvdRVhDH4T
Name 11.BETA.-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/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey BFZHCUBIASXHPK-ATWVFEABSA-N
Molecular Weight 330.468 g/mol
Nominal Mass 330 u
Number of Peaks 91
SMILES O[C@]1(C[C@@]2([C@](CC[C@]2([C@@]2(CCC3=CC(CC[C@@]3([C@@]12[H])C)=O)[H])[H])(C(C)=O)[H])C)[H]
SPLASH splash10-01ox-9812000000-92ac735757a2ff072d06
Source File Reference LMCM-15647-507N
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 11-HYDROXYPREGN-4-ENE-3,20-DIONE (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-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_298