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24R,25-DIHYDROXY-CHOLECALCIFEROL;VITAMIN-D-DERIVATIVE
SpectraBase Compound ID HUPK5dk8gbD
InChI InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25+,27-/m1/s1
InChIKey FCKJYANJHNLEEP-WQUHCOROSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hQlEAs8Jrf
Name 24R,25-DIHYDROXY-CHOLECALCIFEROL;VITAMIN-D-DERIVATIVE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25+,27-/m1/s1
InChIKey FCKJYANJHNLEEP-WQUHCOROSA-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 416.645 g/mol
Solvent CD3OD
Source File Reference UWWR5111