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Pregn-7-en-20-one, 12-(acetyloxy)-, (5.alpha.,12.beta.)-
SpectraBase Compound ID KCVm1tblaJM
InChI InChI=1S/C23H34O3/c1-14(24)18-10-11-19-17-9-8-16-7-5-6-12-22(16,3)20(17)13-21(23(18,19)4)26-15(2)25/h9,16,18-21H,5-8,10-13H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-/m1/s1
InChIKey SONZRDFQDNYVSG-WDNFLKEISA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDZjX4jIXEU
Name Pregn-7-en-20-one, 12-(acetyloxy)-, (5.alpha.,12.beta.)-
CAS Registry Number 114318-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14(24)18-10-11-19-17-9-8-16-7-5-6-12-22(16,3)20(17)13-21(23(18,19)4)26-15(2)25/h9,16,18-21H,5-8,10-13H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-/m1/s1
InChIKey SONZRDFQDNYVSG-WDNFLKEISA-N
Molecular Weight 358.522 g/mol
SMILES C1=2[C@@]([C@@]3(C)CCCC[C@@]3(CC2)[H])(C[C@]([C@]2([C@]1(CC[C@@]2(C(=O)C)[H])[H])C)(OC(=O)C)[H])[H]
SPLASH splash10-0a4i-6390000000-d10a4460e378cbb3a66d
Source of Spectrum H-71-70-11
Synonyms (5alpha,12beta)-20-oxopregn-7-en-12-yl acetate 12.beta.-acetoxy-5.alpha.-pregna-7-en-20-one
Wiley ID 1347409