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3.BETA.-HYDROXY-3.ALPHA.-METHYL-5.ALPHA.-ANDROSTAN-17-ONE
SpectraBase Compound ID 9X1HtNy8r1c
InChI InChI=1S/C20H32O2/c1-18(22)10-11-19(2)13(12-18)4-5-14-15-6-7-17(21)20(15,3)9-8-16(14)19/h13-16,22H,4-12H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey WWBDYIVCOYXHMT-YNZDMMAESA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lMzxxtlLCQ
Name 3.BETA.-HYDROXY-3.ALPHA.-METHYL-5.ALPHA.-ANDROSTAN-17-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18(22)10-11-19(2)13(12-18)4-5-14-15-6-7-17(21)20(15,3)9-8-16(14)19/h13-16,22H,4-12H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey WWBDYIVCOYXHMT-YNZDMMAESA-N
Molecular Weight 304.474 g/mol
Nominal Mass 304 u
Number of Peaks 120
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C)C
SPLASH splash10-0006-9321000000-59a6ed1dd19eee42574a
Source File Reference LMCM-52817-077V
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-HYDROXY-3-METHYLANDROSTAN-17-ONE (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-3,10,13-trimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_424