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Pregn-5-ene-20-carboxaldehyde, 3,20-dihydroxy-, (3.beta.,20R)-
SpectraBase Compound ID n0QodG10wH
InChI InChI=1S/C22H34O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,13,15-19,24-25H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKey POMLXUSTQPHQAV-JOFXYRRGSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvqUE4fQTf8
Name Pregn-5-ene-20-carboxaldehyde, 3,20-dihydroxy-, (3.beta.,20R)-
Alternate Name(s) (2R)-2-hydroxy-2-[(1S,2R,5S,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]propanal 3,20-Dihydroxy-5-pregnen-20-carboxaldehyde
CAS Registry Number 66007-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,13,15-19,24-25H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKey POMLXUSTQPHQAV-JOFXYRRGSA-N
Molecular Weight 346.511 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C=O)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0gb9-0039000000-5c44e52570dfb37c8d42
Source of Spectrum J-49-1381-0
Wiley ID 1339626