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Pregn-20-ene-20-carboxaldehyde, 3-(acetyloxy)-12-oxo-, (3.beta.,5.beta.)-
SpectraBase Compound ID A4RluXyW35e
InChI InChI=1S/C24H34O4/c1-14(13-25)19-7-8-20-18-6-5-16-11-17(28-15(2)26)9-10-23(16,3)21(18)12-22(27)24(19,20)4/h13,16-21H,1,5-12H2,2-4H3/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey CHZHYTGDNUJGMA-LVVAJZGHSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwVNd5hjGaH
Name Pregn-20-ene-20-carboxaldehyde, 3-(acetyloxy)-12-oxo-, (3.beta.,5.beta.)-
CAS Registry Number 115429-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-14(13-25)19-7-8-20-18-6-5-16-11-17(28-15(2)26)9-10-23(16,3)21(18)12-22(27)24(19,20)4/h13,16-21H,1,5-12H2,2-4H3/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey CHZHYTGDNUJGMA-LVVAJZGHSA-N
Molecular Weight 386.532 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2=O)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1(C(=C)C=O)[H])[H])C
SPLASH splash10-0a4i-0029000000-18a3aecb2ff5cc8913ac
Source of Spectrum F-43-2051-17
Synonyms (1S,2S,5S,7R,10R,11S,14R,15S)-2,15-dimethyl-16-oxo-14-(3-oxoprop-1-en-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate 3.beta.-acetoxy-12-oxo-23,24-dinor-5.beta.-chol-20-en-22-al
Wiley ID 1362864