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5.ALPHA.-ANDROST-2-ENE-6.ALPHA.-OL-1-ONE
SpectraBase Compound ID 4qA5sPhllzq
InChI InChI=1S/C19H28O2/c1-18-9-4-6-13(18)12-11-16(20)15-5-3-7-17(21)19(15,2)14(12)8-10-18/h3,7,12-16,20H,4-6,8-11H2,1-2H3/t12-,13-,14-,15+,16-,18-,19+/m0/s1
InChIKey NEEQXKDQZDFIKV-SPHXVARUSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77Wsh5Sod9N
Name 5.ALPHA.-ANDROST-2-ENE-6.ALPHA.-OL-1-ONE
CAS Registry Number 25846-00-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-18-9-4-6-13(18)12-11-16(20)15-5-3-7-17(21)19(15,2)14(12)8-10-18/h3,7,12-16,20H,4-6,8-11H2,1-2H3/t12-,13-,14-,15+,16-,18-,19+/m0/s1
InChIKey NEEQXKDQZDFIKV-SPHXVARUSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 108
SMILES O[C@@]1([C@]2(CC=CC([C@@]2([C@]2(CC[C@@]3(CCC[C@]3([C@@]2(C1)[H])[H])C)[H])C)=O)[H])[H]
SPLASH splash10-052b-9730000000-877a5d11d2259c0b53b3
Source File Reference LMCM-83472-899W
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 6-HYDROXYANDROST-2-EN-1-ONE (5S,6S,8S,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-one
Wiley ID 4_1040