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3.alpha.,20.beta.-Dihydroxy-5.beta.-pregnan-1-one
SpectraBase Compound ID 65a4hshQfWr
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h12-18,22-23H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18-,20+,21-/m0/s1
InChIKey JBUSPTYKJQLPHM-UFGBVPMASA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFODnFJCoTt
Name 3.alpha.,20.beta.-Dihydroxy-5.beta.-pregnan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h12-18,22-23H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18-,20+,21-/m0/s1
InChIKey JBUSPTYKJQLPHM-UFGBVPMASA-N
Molecular Weight 334.500 g/mol
SMILES O[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@@]4([C@@](C[C@@](CC4=O)(O)[H])(CC3)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H]
SPLASH splash10-001i-0019000000-95143d4d340535449ad2
Source of Spectrum X4-18-436-0
Synonyms (3alpha,5beta,20S)-3,20-dihydroxypregnan-1-one
Wiley ID 1585543