Debug Info

object
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_id
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6ddtD1HO5rK
spectrumID
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6ddtD1HO5rK
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MS (GC)
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Mass Spectrum (GC)
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4-Androsten-6α,17β-diol-3-one
SpectraBase Compound ID Fk1NZek82bH
InChI InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
InChIKey XSEGWEUVSZRCBC-QXROXWLYSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ddtD1HO5rK
Name ANDROST-4-ENE-6.ALPHA.,17.BETA.-DIOL-3-ONE
CAS Registry Number 2944-87-8
Copyright Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
InChIKey XSEGWEUVSZRCBC-QXROXWLYSA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 157
SMILES O[C@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CCC(C=C12)=O)C)[H])C)(O)[H])[H])[H])[H]
SPLASH splash10-0fbc-9862000000-d0f26ca361be6285461e
Source File Reference LMCM-90930-152V
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 6,17-DIHYDROXYANDROST-4-EN-3-ONE (6S,8R,9S,10R,13S,14S,17S)-6,17-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_2402
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