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(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID Ltxro3eZnSF
InChI InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey VMNRNUNYBVFVQI-PFFQMSPKSA-N
Mol Weight 274.45 g/mol
Molecular Formula C19H30O
Exact Mass 274.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjgXpUgjv75
Name 5.BETA.-ANDROSTAN-3-ONE
CAS Registry Number 18069-68-6
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey VMNRNUNYBVFVQI-PFFQMSPKSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 81
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])C)[H])C)=O
SPLASH splash10-0udi-8590000000-ed5894f40fd171e79ccf
Source File Reference LMCM-44817-069B
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROSTAN-3-ONE (5R,8S,9S,10S,13S,14S)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_573