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5-Androsten-3β,17β-diol-16-one
SpectraBase Compound ID ChXnSL10svI
InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
InChIKey AKRBLZKRYPEVIK-PEMPUTJUSA-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 C3mNlGCyAX4
Name 3.BETA.,17.BETA.-DIHYDROXY-ANDROST-5-ENE-16-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
InChIKey AKRBLZKRYPEVIK-PEMPUTJUSA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 110
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1=O)[H])[H])(O)[H])C)[H])C)[H]
SPLASH splash10-0udl-9874000000-d02aa15362919b192817
Source File Reference LMCM-48352-259D
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3,17-DIHYDROXYANDROST-5-EN-16-ONE (3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthren-16(2H)-one
Wiley ID 4_425