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3α,6α-dihydroxy-5β-pregnan-20-one

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

3α,6α-dihydroxy-5β-pregnan-20-one
SpectraBase Compound ID 9KnzodtnKHx
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-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 AorLLXNKjGT
Name 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-N
Molecular Weight 334.500 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@@]3([C@@](C[C@@]2(O)[H])([C@@]2(CC[C@@]([C@]2(CC3)C)(C(=O)C)[H])[H])[H])[H])(CC1)C)[H])[H]
SPLASH splash10-0006-9000000000-b945396dc4cb7c0f8b8c
Source of Spectrum IC-963-0-0
Synonyms 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 1331315