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5-ALPHA-ANDROSTAN-16-ONE
SpectraBase Compound ID DulBJ7MNfMZ
InChI InChI=1S/C19H30O/c1-18-10-8-16-15(17(18)11-14(20)12-18)7-6-13-5-3-4-9-19(13,16)2/h13,15-17H,3-12H2,1-2H3/t13-,15-,16+,17+,18-,19+/m1/s1
InChIKey UYNXNPZDSGEDON-XFMWHNAVSA-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 wpVt613c53
Name 5.ALPHA.-ANDROSTAN-16-ONE
CAS Registry Number 1032-16-2
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-10-8-16-15(17(18)11-14(20)12-18)7-6-13-5-3-4-9-19(13,16)2/h13,15-17H,3-12H2,1-2H3/t13-,15-,16+,17+,18-,19+/m1/s1
InChIKey UYNXNPZDSGEDON-XFMWHNAVSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 86
SMILES C1CC[C@@]2([C@]3(CC[C@@]4(CC(C[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C
SPLASH splash10-06di-1290000000-d32a2355cd5b3d4b8e38
Source File Reference LMCM-51137-671R
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-16-ONE (5R,8S,9S,10S,13R,14S)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-16(2H)-one
Wiley ID 4_2858