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ANDROSTA-1,4-DIENE-11-ALPHA,17-BETA-DIOL-3-ONE-17-ACETATE
SpectraBase Compound ID COrhj15dg6U
InChI InChI=1S/C21H28O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15-,16-,17+,18-,19+,20-,21-/m0/s1
InChIKey UFSKYLAIGDMNQE-FAXLKHNMSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIkkuYVRGs
Name Androsta-1,4-dien-3-one, 17-(acetyloxy)-11-hydroxy-, (11.alpha.,17.beta.)-
CAS Registry Number 97455-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15-,16-,17+,18-,19+,20-,21-/m0/s1
InChIKey UFSKYLAIGDMNQE-FAXLKHNMSA-N
Molecular Weight 344.451 g/mol
SMILES O[C@]1([C@@]2([C@@]3(C(=CC(C=C3)=O)CC[C@]2([C@]2([C@](C1)([C@@](OC(=O)C)(CC2)[H])C)[H])[H])C)[H])[H]
SPLASH splash10-00di-0901000000-c2075d510a967a94a280
Source of Spectrum I-63-1130-0
Synonyms (11alpha,17beta)-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl acetate Androsta-1,4-diene-11.alpha.,17.beta.-diol-3-one, 17-acetate
Wiley ID 1338106