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Ergosterol

View entire compound with spectra: 9 NMR, 7 FTIR, and 7 MS (GC)

Ergosterol
SpectraBase Compound ID Eqzf7RlRIgN
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey DNVPQKQSNYMLRS-APGDWVJJSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zkpvOjlDDF
Name ERGOSTEROL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey DNVPQKQSNYMLRS-APGDWVJJSA-N
Literature Reference Author R.C.TUCKEY,M.N.NGUYEN,J.CHEN,A.T.SLOMINSKI,D.M.BALDISSERI,E. W.TIEU,J.K.ZJAWIONY,
Literature Reference Citation DRUG.MET.DISP.,40,436(2012)
Literature Reference DOI 10.1124/dmd.111.042515
Molecular Weight 396.657 g/mol
Source File Reference UWLU75272