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PREGN-5-ENE, 3.BETA.,16.ALPHA.,20.BETA.-TRIOL-
SpectraBase Compound ID IjpxLTlO4YQ
InChI InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey BBYKCTWGEWBSOL-CNJDONEHSA-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 Aj7hB6hSlt3
Name PREGN-5-ENE, 3.BETA.,16.ALPHA.,20.BETA.-TRIOL-
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey BBYKCTWGEWBSOL-CNJDONEHSA-N
Molecular Weight 334.500 g/mol
Nominal Mass 334 u
Number of Peaks 147
SMILES O[C@]1([C@@]([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(C1)[H])[H])(O)[H])C)[H])C)([C@](C)(O)[H])[H])[H]
SPLASH splash10-0a59-6943000000-098efc8fba162f6458f3
Source File Reference LMCM-85549-115N
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3.BETA.,16.ALPHA.,20.BETA.-TRIHYDROXY-PREGN-5-ENE PREGN-5-ENE-3,16,20-TRIOL (3S,8S,9S,10R,13S,14S,16R,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Wiley ID 4_341