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(4.alpha.,5.alpha.)-4-methyl-17-oxoandrost-14-ene-4-carboxylic methyl ester
SpectraBase Compound ID 685qC16J7AZ
InChI InChI=1S/C22H32O3/c1-20-11-5-12-22(3,19(24)25-4)17(20)8-6-14-15-7-9-18(23)21(15,2)13-10-16(14)20/h7,14,16-17H,5-6,8-13H2,1-4H3/t14-,16-,17+,20+,21-,22+/m0/s1
InChIKey VAJWEORDBGCOOA-ROOHJKHHSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9yPuRA9RuK
Name (4.alpha.,5.alpha.)-4-methyl-17-oxoandrost-14-ene-4-carboxylic methyl ester
CAS Registry Number 23527-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-20-11-5-12-22(3,19(24)25-4)17(20)8-6-14-15-7-9-18(23)21(15,2)13-10-16(14)20/h7,14,16-17H,5-6,8-13H2,1-4H3/t14-,16-,17+,20+,21-,22+/m0/s1
InChIKey VAJWEORDBGCOOA-ROOHJKHHSA-N
Molecular Weight 344.495 g/mol
SMILES C1=2[C@@](C(=O)CC2)(CC[C@@]2([C@]3(CCC[C@]([C@@]3(CC[C@@]12[H])[H])(C(=O)OC)C)C)[H])C
SPLASH splash10-014i-0009000000-ecdde716a6b939edcde8
Source of Spectrum J-55-2373-13
Synonyms Methyl (4alpha,5alpha)-4-methyl-17-oxoandrost-14-ene-4-carboxylate
Wiley ID 1338268