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VITAMIN-D3;9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-BETA-OL
SpectraBase Compound ID tz3u3smpGk
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+
InChIKey QYSXJUFSXHHAJI-FWSOMWAYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89eVxhbDEyN
Name VITAMIN-D3;9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-BETA-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+
InChIKey QYSXJUFSXHHAJI-FWSOMWAYSA-N
Literature Reference Author C.KRUK,A.W.H.JANS,J.LUGTENBURG
Literature Reference Citation MAGN.RES.CHEM.,23,267(1985)
Literature Reference DOI 10.1002/mrc.1260230412
Molecular Weight 384.646 g/mol
Solvent CDCl3
Source File Reference UNIW15238