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ANDROST-4-ENE-2-BETA,17-BETA-DIOL-3-ONE
SpectraBase Compound ID 7czQX5b6bie
InChI InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
InChIKey ZOIPFFUVGMVQGE-LXKHFVGGSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qMFELEbOfU
Name ANDROST-4-ENE-2.BETA.,17.BETA-DIOL.-3-ONE
CAS Registry Number 10390-14-4
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
InChIKey ZOIPFFUVGMVQGE-LXKHFVGGSA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 88
SMILES O[C@]1(CC[C@]2([C@@]3(CCC4=CC([C@](C[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])=O)[H])[H])[H]
SPLASH splash10-03di-6791000000-139d2a23e58948ec661e
Source File Reference LMCM-87325-592P
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 2,17-DIHYDROXYANDROST-4-EN-3-ONE (2S,8R,9S,10R,13S,14S,17S)-2,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_2510