| SpectraBase Spectrum ID |
6tNAC989ZOo |
| Name |
Cholecalciferol, 1TMS |
| Alternate Name(s) |
Vitamin D3, 1TMS
NCGC00142511-01, 1TMS
(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 1TMS
Trimethyl(((E)-3-(2-((E)-7a-methyl-1-(6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)silane |
| Comments |
Derivatization type: 1 TMS (mass: 456.379); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000488; Note: The molecular formula of the structure shown is C27H44O - which differs from the formula reported for the mass spectrum (C30H52OSi) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H52OSi |
| InChI |
InChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16+ |
| InChIKey |
GWVMYANKBNXDQN-RYQLWAFASA-N |
| Molecular Weight |
456.830 g/mol |
| SMILES |
CC(C)CCCC(C)C1CCC2\C(CCCC12C)=C\C=C/1CC(CCC1=C)O[Si](C)(C)C |
| SPLASH |
splash10-00mp-1901000000-7fc2eef85320eae5794c |
| Source of Spectrum |
FM-2019-488-0 |
| Wiley ID |
1818172 |
