| SpectraBase Spectrum ID |
9mT9JBqQDoX |
| Name |
Colecalciferol AC |
| Classification |
Vitamin |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
426.349780719 u |
| Formula |
C29H46O2 |
| InChI |
InChI=1S/C29H46O2/c1-20(2)9-7-10-21(3)27-16-17-28-25(11-8-18-29(27,28)6)13-12-24-14-15-26(19-22(24)4)31-23(5)30/h12-13,20-21,26-28H,4,7-11,14-19H2,1-3,5-6H3/b24-12+,25-13+ |
| InChIKey |
FVFKYVQDJSUPPN-DWGHPKEWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
426.685 g/mol |
| SMILES |
CC12CCC\C(C1CCC2C(CCCC(C)C)C)=C/C=C/1C(=C)CC(CC1)OC(C)=O |
| SPLASH |
splash10-052e-4913000000-e96cd0504c6bbf433e2c |
| 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_2796 |
