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Pregn-20-en-12-one, 20-methyl-, (5.alpha.)-
SpectraBase Compound ID D6TchfehI1t
InChI InChI=1S/C22H34O/c1-14(2)17-10-11-18-16-9-8-15-7-5-6-12-21(15,3)19(16)13-20(23)22(17,18)4/h15-19H,1,5-13H2,2-4H3/t15-,16+,17-,18+,19+,21+,22-/m1/s1
InChIKey TWPRLLSJAXISGZ-NCEGCGGISA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEPWDK8id1y
Name Pregn-20-en-12-one, 20-methyl-, (5.alpha.)-
CAS Registry Number 86679-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-14(2)17-10-11-18-16-9-8-15-7-5-6-12-21(15,3)19(16)13-20(23)22(17,18)4/h15-19H,1,5-13H2,2-4H3/t15-,16+,17-,18+,19+,21+,22-/m1/s1
InChIKey TWPRLLSJAXISGZ-NCEGCGGISA-N
Molecular Weight 314.513 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1(C(=C)C)[H])[H])C
SPLASH splash10-03di-0109000000-77d85e70ddb72d2d480f
Source of Spectrum AN-92-160-0
Synonyms (1S,2S,7R,10R,11S,14R,15S)-2,15-dimethyl-14-(prop-1-en-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-16-one 23,24-Bisnor-5.alpha.-chol-20(22)-en-12-one
Wiley ID 1315696