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Keto-trans-vitamin D3
SpectraBase Compound ID 90J1DX8aIT2
InChI InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11+
InChIKey GBQBUXZDVCNURD-CLVAPQHMSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CuEmourGtL
Name Keto-trans-vitamin D3
CAS Registry Number 62743-71-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11+
InChIKey GBQBUXZDVCNURD-CLVAPQHMSA-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