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10-OXO-TRANS-VITAMIN-D3

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10-OXO-TRANS-VITAMIN-D3
SpectraBase Compound ID yxGhM3qPMy
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+/t19-,22-,23-,24?,26-/m1/s1
InChIKey GBQBUXZDVCNURD-HRMIEHESSA-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 EckbeQwxrXD
Name 10-OXO-TRANS-VITAMIN-D3
CAS Registry Number 62743-71-9
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/t19-,22-,23-,24?,26-/m1/s1
InChIKey GBQBUXZDVCNURD-HRMIEHESSA-N
Literature Reference Author E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES
Literature Reference Citation J.ORG.CHEM.,42,3325(1977)
Literature Reference DOI 10.1021/jo00441a001
Molecular Weight 386.618 g/mol
Solvent CDCl3
Source File Reference UWWR5068