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17.beta.-propionyloxy-4-oxaandrost-5-en-3-one
SpectraBase Compound ID Co4McsEIbA2
InChI InChI=1S/C21H30O4/c1-4-18(22)24-17-8-6-14-13-5-7-16-21(3,12-10-19(23)25-16)15(13)9-11-20(14,17)2/h7,13-15,17H,4-6,8-12H2,1-3H3/t13-,14-,15-,17-,20-,21+/m0/s1
InChIKey BJAOHUZEMLBCME-GWEIWVATSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FY6hIPDIusK
Name 17.beta.-propionyloxy-4-oxaandrost-5-en-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-18(22)24-17-8-6-14-13-5-7-16-21(3,12-10-19(23)25-16)15(13)9-11-20(14,17)2/h7,13-15,17H,4-6,8-12H2,1-3H3/t13-,14-,15-,17-,20-,21+/m0/s1
InChIKey BJAOHUZEMLBCME-GWEIWVATSA-N
Molecular Weight 346.467 g/mol
SMILES [C@@]12(C(OC(CC2)=O)=CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)CC)[H])[H])[H])C
SPLASH splash10-0002-0019000000-85b8768acfe180104f54
Source of Spectrum KC-1991-129-2
Synonyms (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydroindeno[5,4-f]chromen-7-yl propionate
Wiley ID 1339513