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VITAMIN-D3;9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-BETA-OL

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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 HcH04srlDg3
Name Epi-trans-vitamin D3
CAS Registry Number 57651-83-9
Comments DIFFERENTIAL SHIFTS OF P-NITRO-BENZOATE REPORTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference E. Berman, Z. Luz, Y. Mazur, J. Org. Chem. 42, 3325 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3