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Cholecalciferol  (Vitamin D3)
SpectraBase Compound ID GdezsDXJfV4
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-/t21-,24+,25-,26+,27-/m1/s1
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9W7LnumAm7N
Name CHOLECALCIFEROL
Source of Sample Fluka AG, Buchs, Switzerland
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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-/t21-,24+,25-,26+,27-/m1/s1
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
Melting Point 85-87C
Molecular Weight 384.65
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms VITAMIN D3