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Pregn-5-en-3-ol, 20-methyl-, (3.beta.,17.alpha.)-
SpectraBase Compound ID FLpR5Bh3z0a
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h5,14,16-20,23H,6-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22+/m0/s1
InChIKey COSKITFSCAETCX-NTNVJIBLSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2fKCjxFGbn
Name Pregn-5-en-3-ol, 20-methyl-, (3.beta.,17.alpha.)-
Alternate Name(s) (1S,2R,5S,10S,11S,14S,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol 20-Methyl-17.alpha.-pregn-5-en-3.beta.-ol
CAS Registry Number 72692-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h5,14,16-20,23H,6-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22+/m0/s1
InChIKey COSKITFSCAETCX-NTNVJIBLSA-N
Molecular Weight 316.529 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@]4(C(C)C)[H])[H])C)[H])C)[H]
SPLASH splash10-014i-0059000000-3d4f5300d3a5ecf3122e
Source of Spectrum F-35-787-0
Wiley ID 1317393