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17-(ACETYLOXY)-4,4-DIMETHYL-3-OXOANDROSTAN-19-YL ACETATE
SpectraBase Compound ID BH6oRibTbyn
InChI InChI=1S/C25H38O5/c1-15(26)29-14-25-13-11-21(28)23(3,4)20(25)8-6-17-18-7-9-22(30-16(2)27)24(18,5)12-10-19(17)25/h17-20,22H,6-14H2,1-5H3/t17?,18?,19?,20?,22?,24-,25-/m0/s1
InChIKey DMDUKPROZRXSDM-IRMLGEOWSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NFfiUxz7Jk
Name 17-(ACETYLOXY)-4,4-DIMETHYL-3-OXOANDROSTAN-19-YL ACETATE
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Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-15(26)29-14-25-13-11-21(28)23(3,4)20(25)8-6-17-18-7-9-22(30-16(2)27)24(18,5)12-10-19(17)25/h17-20,22H,6-14H2,1-5H3/t17?,18?,19?,20?,22?,24-,25-/m0/s1
InChIKey DMDUKPROZRXSDM-IRMLGEOWSA-N
Molecular Weight 418.574 g/mol
Nominal Mass 418 u
Number of Peaks 292
SMILES C(C)(=O)OC[C@@]12C3CC[C@@]4(C(CCC4C3CCC1C(C(CC2)=O)(C)C)OC(=O)C)C
SPLASH splash10-0006-9411000000-1da5a5d16c6777c1964b
Source File Reference LMCM-50029-343R
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms [(2S,15S)-14-(acetyloxy)-6,6,15-trimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-2-yl]methyl acetate
Wiley ID 8_12591