Debug Info

object
{15}
_id
:
EHPfhEpHNIW
spectrumID
:
EHPfhEpHNIW
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMPASX:58:1
hasStructureAssignments
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false
properties
{15}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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17-BETA-ACETYLOXY-5-BETA-ANDROSTAN-3-ONE
SpectraBase Compound ID Cfdy602ZDoR
InChI InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey ILCTUFVQFCIIDS-KRUBMYLRSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHPfhEpHNIW
Name 17.BETA.-ACETOXY-5.BETA.-ANDROSTAN-3-ONE
Copyright Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey ILCTUFVQFCIIDS-KRUBMYLRSA-N
Molecular Weight 332.484 g/mol
Nominal Mass 332 u
Number of Peaks 122
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(OC(=O)C)[H])C)[H])C)=O
SPLASH splash10-0006-9541000000-21396d70525212f54ce5
Source File Reference LMCM-16305-390A
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-OXOANDROSTAN-17-YL ACETATE (5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 4_483
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