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CHOLEST-8(14)-EN-15-ON, 3-METHOXYIMINO-
SpectraBase Compound ID H9aGeSuUWIn
InChI InChI=1S/C28H45NO2/c1-18(2)8-7-9-19(3)24-17-25(30)26-22-11-10-20-16-21(29-31-6)12-14-27(20,4)23(22)13-15-28(24,26)5/h18-20,23-24H,7-17H2,1-6H3/b29-21+/t19-,20?,23+,24-,27+,28-/m1/s1
InChIKey WQNOZYMJFBIZEI-RYONKKHESA-N
Mol Weight 427.7 g/mol
Molecular Formula C28H45NO2
Exact Mass 427.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HscmG8F2btf
Name CHOLEST-8(14)-EN-15-ON, 3-METHOXYIMINO-
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 427.345029691 u
Formula C28H45NO2
InChI InChI=1S/C28H45NO2/c1-18(2)8-7-9-19(3)24-17-25(30)26-22-11-10-20-16-21(29-31-6)12-14-27(20,4)23(22)13-15-28(24,26)5/h18-20,23-24H,7-17H2,1-6H3/b29-21+/t19-,20?,23+,24-,27+,28-/m1/s1
InChIKey WQNOZYMJFBIZEI-RYONKKHESA-N
Molecular Weight 427.673 g/mol
Nominal Mass 427 u
Number of Peaks 274
SMILES C1\C(CC2CCC3=C4C(C[C@@]([C@]4(CC[C@@]3([C@]2(C1)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])=O)=N/OC
SPLASH splash10-004i-5952700000-5f92a2a62bf23e31d85e
Source File Reference LMCM-59785-148U
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms CHOLEST-8(14)-ENE-3,15-DIONE 3-(O-METHYLOXIME) (1R,2S,5E,14R,15R)-5-(methoxyimino)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-10-en-12-one
Wiley ID 8_26810