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Ergosterol
SpectraBase Compound ID KEyBkNDyzpH
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-/m1/s1
InChIKey DNVPQKQSNYMLRS-IVLDPUAISA-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 KtPf0hGlKMk
Name ERGOSTEROL
Compound Number 1
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-/m1/s1
InChIKey DNVPQKQSNYMLRS-IVLDPUAISA-N
Literature Reference Author Y.S.TSANTRIZOS,K.K.OGILVIE,A.K.WATSON
Literature Reference Citation CAN.J.CHEM.,70,2276(1992)
Literature Reference DOI 10.1139/v92-286
Molecular Weight 396.657 g/mol
Solvent CDCl3
Source File Reference UWVP558