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3b-hydroxy-5a,14b-pregn-8(9)-en-11-one
SpectraBase Compound ID HgIK2o3HhA0
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-15,17,22H,4-12H2,1-3H3/t13-,14-,15-,17+,20-,21+/m0/s1
InChIKey HHYGUTBMQHNBKZ-PBPUHZHHSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GI0hYsCumiR
Name 3b-hydroxy-5a,14b-pregn-8(9)-en-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-15,17,22H,4-12H2,1-3H3/t13-,14-,15-,17+,20-,21+/m0/s1
InChIKey HHYGUTBMQHNBKZ-PBPUHZHHSA-N
Molecular Weight 316.485 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@]4(CC[C@@]([C@]4(CC3=O)C)(CC)[H])[H])CC[C@]2(C1)[H])C)[H]
SPLASH splash10-014i-4966000000-a2998974d2a21d9243c4
Source of Spectrum SD-1992-0-0
Synonyms (3beta,5alpha,14beta)-3-hydroxypregn-8-en-11-one
Wiley ID 1317287