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17.BETA.-ETHOXY-17.ALPHA.-METHYL-ANDROST-4-ENE-3-ONE
SpectraBase Compound ID 1xmu2yzKgdZ
InChI InChI=1S/C22H34O2/c1-5-24-22(4)13-10-19-17-7-6-15-14-16(23)8-11-20(15,2)18(17)9-12-21(19,22)3/h14,17-19H,5-13H2,1-4H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKey LLBWYJOHAUPOFT-GUCLMQHLSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIbcZ9HDGI3
Name 17.BETA.-ETHOXY-17.ALPHA.-METHYL-ANDROST-4-ENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 330.255880333 u
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-5-24-22(4)13-10-19-17-7-6-15-14-16(23)8-11-20(15,2)18(17)9-12-21(19,22)3/h14,17-19H,5-13H2,1-4H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKey LLBWYJOHAUPOFT-GUCLMQHLSA-N
Molecular Weight 330.512 g/mol
Nominal Mass 330 u
Number of Peaks 73
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(C)OCC)C)[H])C)=O
SPLASH splash10-0005-9110000000-4bbb9a5d61541f15827a
Source File Reference LMCM-91895-997R
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-ETHOXY-17-METHYLANDROST-4-EN-3-ONE (8R,9S,10R,13S,14S,17S)-17-ethoxy-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_256