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1-ALPHA-HYDROXY-5-BETA,19-CYCLOANDROSTANE-3,17-DIONE
SpectraBase Compound ID 4NV3dzrgC9z
InChI InChI=1S/C19H26O3/c1-17-6-5-14-12(13(17)2-3-15(17)21)4-7-18-9-11(20)8-16(22)19(14,18)10-18/h12-14,16,22H,2-10H2,1H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
InChIKey VYIQNVWWDISLNL-QXROXWLYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QGBus3fPvB
Name 5,10-Methano-6H-cyclopenta[a]phenanthrene, 5,19-cycloandrostane-3,17-dione deriv.
Alternate Name(s) 5,19-Cycloandrostane-3,17-dione, 1-hydroxy-, (1.alpha.,5.beta.)- 1.alpha.-hydroxy-5.beta.,19-cycloandrostane-3,17-dione
CAS Registry Number 129409-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-17-6-5-14-12(13(17)2-3-15(17)21)4-7-18-9-11(20)8-16(22)19(14,18)10-18/h12-14,16,22H,2-10H2,1H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
InChIKey VYIQNVWWDISLNL-QXROXWLYSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@@]1([C@]23[C@@](CC(C1)=O)(CC[C@@]1([C@@]3(CC[C@@]3(C(=O)CC[C@@]13[H])C)[H])[H])C2)[H]
SPLASH splash10-0a4i-6091000000-cb2ab1e0530977a92c36
Source of Spectrum I-68-699-12
Wiley ID 1304990