For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-ALPHA-HYDROXY-CHOLECALCIFEROL;VITAMIN-D-DERIVATIVE
SpectraBase Compound ID 8Y5z21sR7W4
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
InChIKey OFHCOWSQAMBJIW-AVJTYSNKSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KTdyWokpFMQ
Name 1-ALPHA-HYDROXY-CHOLECALCIFEROL;VITAMIN-D-DERIVATIVE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
InChIKey OFHCOWSQAMBJIW-AVJTYSNKSA-N
Literature Reference Author T.H.WILLIAMS,D.N.GREELEY,E.G.BAGGIOLINI,J.J.PARTRIDGE,S.J.SH IUEY,M.R.USKOKOVIC
Literature Reference Citation HELV.CHIM.ACTA,63,1609(1980)
Literature Reference DOI 10.1002/hlca.19800630630
Molecular Weight 400.645 g/mol
Solvent CD3OD
Source File Reference UWWR5108