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Pregn-5-ene-1,3,20-triol, (1.alpha.,3.beta.,20R)-
SpectraBase Compound ID IYFwqLyIlDw
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/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17+,18+,19+,20-,21+/m1/s1
InChIKey GWHLQRFCRAADTF-LNOZXADGSA-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 LAAyovvyFQi
Name Pregn-5-ene-1,3,20-triol, (1.alpha.,3.beta.,20R)-
Alternate Name(s) (1alpha,3beta,20R)-pregn-5-ene-1,3,20-triol (20R)-5-pregnen-1.alpha.,3.beta.,20-triol (1S,3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-oxidanylethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
CAS Registry Number 75714-93-1
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/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17+,18+,19+,20-,21+/m1/s1
InChIKey GWHLQRFCRAADTF-LNOZXADGSA-N
Molecular Weight 334.500 g/mol
SMILES O[C@@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H]
SPLASH splash10-0aos-9438000000-cf3c6fe3160846eca6ff
Source of Spectrum H-64-1889-0
Wiley ID 1331307