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4,4-DIMETHYLPREGN-5-ENE-3,20-DIONE
SpectraBase Compound ID bFsee0B1uE
InChI InChI=1S/C23H34O2/c1-14(24)16-7-8-17-15-6-9-19-21(2,3)20(25)11-13-23(19,5)18(15)10-12-22(16,17)4/h9,15-18H,6-8,10-13H2,1-5H3/t15-,16+,17-,18-,22+,23+/m0/s1
InChIKey ZISXBMZHBRUYKN-OHYHBWFZSA-N
Mol Weight 342.5 g/mol
Molecular Formula C23H34O2
Exact Mass 342.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wX4kCkhfb8
Name 4,4-DIMETHYL-PREGN-5-ENE-3,20-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 342.255880333 u
Formula C23H34O2
InChI InChI=1S/C23H34O2/c1-14(24)16-7-8-17-15-6-9-19-21(2,3)20(25)11-13-23(19,5)18(15)10-12-22(16,17)4/h9,15-18H,6-8,10-13H2,1-5H3/t15-,16+,17-,18-,22+,23+/m0/s1
InChIKey ZISXBMZHBRUYKN-OHYHBWFZSA-N
Molecular Weight 342.523 g/mol
Nominal Mass 342 u
Number of Peaks 124
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1(C)C)[H])[H])(C(C)=O)[H])C)[H])C)=O
SPLASH splash10-006x-6912000000-efcf1eb9f2521dce20ba
Source File Reference LMCM-17802-785U
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 4,4-DIMETHYLPREGN-5-ENE-3,20-DIONE (8S,9S,10R,13S,14S,17S)-17-acetyl-4,4,10,13-tetramethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_420