| SpectraBase Spectrum ID |
4GoX90WU9jK |
| Name |
1,2-Cyclohexanediol, 2-(15-hydroxy-3,7,12-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl)-1, 3,3-trimethyl-, [1R-[1.alpha.,2.beta.,2(all-E)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.297745145 u |
| Formula |
C27H40O3 |
| InChI |
InChI=1S/C27H40O3/c1-22(12-8-7-9-13-24(3)17-21-28)14-10-15-23(2)16-20-27(30)25(4,5)18-11-19-26(27,6)29/h7-10,12-17,20,28-30H,11,18-19,21H2,1-6H3/b8-7+,13-9+,14-10+,20-16+,22-12+,23-15+,24-17+ |
| InChIKey |
BFUCSHBQLUAWAJ-GFYMMIDYSA-N |
| Molecular Weight |
412.614 g/mol |
| SMILES |
C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\C(=C\CO)C)C)C)(C(O)(CCCC1(C)C)C)O |
![1,2-Cyclohexanediol, 2-(15-hydroxy-3,7,12-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl)-1, 3,3-trimethyl-, [1R-[1.alpha.,2.beta.,2(all-E)]]-](/api/spectrum/4GoX90WU9jK/structure.png?h=300&w=458 "1,2-Cyclohexanediol, 2-(15-hydroxy-3,7,12-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl)-1, 3,3-trimethyl-, [1R-[1.alpha.,2.beta.,2(all-E)]]-")
