| SpectraBase Spectrum ID |
8cmDc5fEJHe |
| Name |
(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.318480590 u |
| Formula |
C31H42O2 |
| InChI |
InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t29-/m1/s1 |
| InChIKey |
PJAPZIZSFGWFOQ-UMNNXZQXSA-N |
| Molecular Weight |
446.675 g/mol |
| SMILES |
C1(=C(C[C@](CC1(C)C)(O)[H])C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C |
![(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone](/api/spectrum/8cmDc5fEJHe/structure.png?h=300&w=458 "(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone")
