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ANDROST-4-ENE-6.BETA.,11.ALPHA.-DIOL-3-ONE
SpectraBase Compound ID 8MkJumQkmM4
InChI InChI=1S/C19H28O3/c1-18-6-3-4-13(18)12-9-15(21)14-8-11(20)5-7-19(14,2)17(12)16(22)10-18/h8,12-13,15-17,21-22H,3-7,9-10H2,1-2H3/t12-,13-,15+,16+,17+,18-,19-/m0/s1
InChIKey HLMXXXIMYKQBGB-VXSVBBCASA-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 2Zqreja6qJY
Name ANDROST-4-ENE-6.BETA.,11.ALPHA.-DIOL-3-ONE
CAS Registry Number 25846-60-0
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-6-3-4-13(18)12-9-15(21)14-8-11(20)5-7-19(14,2)17(12)16(22)10-18/h8,12-13,15-17,21-22H,3-7,9-10H2,1-2H3/t12-,13-,15+,16+,17+,18-,19-/m0/s1
InChIKey HLMXXXIMYKQBGB-VXSVBBCASA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 135
SMILES O[C@@]1(C[C@]2([C@@]3(CCC[C@]3(C[C@]([C@@]2([C@]2(CCC(C=C12)=O)C)[H])(O)[H])C)[H])[H])[H]
SPLASH splash10-0kwg-7921000000-2118674bd5d5eb1b66bb
Source File Reference LMCM-61348-388X
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 6,11-DIHYDROXYANDROST-4-EN-3-ONE (6R,8S,9S,10R,11R,13S,14S)-6,11-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_2423