| SpectraBase Spectrum ID |
59utoJ4cvA |
| Name |
Colecalciferol |
| CAS Registry Number |
67-97-0 |
| Classification |
Vitamin |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
384.339216036 u |
| 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+ |
| InChIKey |
QYSXJUFSXHHAJI-FWSOMWAYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
384.648 g/mol |
| SMILES |
CC12C(\C(=C\C=C\3C(=C)CCC(C3)O)CCC1)CCC2C(CCCC(C)C)C |
| SPLASH |
splash10-0zfr-4914000000-c907de6e1e249976b918 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2794 |
