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3.alpha-hydroxy-5.beta.-pregnan-11-one
SpectraBase Compound ID 7ANlNlH8quy
InChI InChI=1S/C21H34O2/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/h13-17,19,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,19+,20-,21+/m0/s1
InChIKey DZQSDLAYGAWXEQ-BMPROBMOSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJfsIi2K4yr
Name 3.alpha-hydroxy-5.beta.-pregnan-11-one
CAS Registry Number 55146-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/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/h13-17,19,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,19+,20-,21+/m0/s1
InChIKey DZQSDLAYGAWXEQ-BMPROBMOSA-N
Molecular Weight 318.501 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(C(C[C@]4([C@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(CC)[H])[H])C)=O)[H])C)[H]
SPLASH splash10-0f72-0096000000-805d09b02c009410ca5e
Source of Spectrum J-55-2175-33
Synonyms (3alpha,5beta)-3-hydroxypregnan-11-one 3..alpha.-hydroxy-5.beta.-pregnan-11-one 3.alphal.-hydroxy-5.beta.-prognan-11-one
Wiley ID 1319010