| SpectraBase Spectrum ID |
69e8JyihZcf |
| Name |
(6S)-2,4,4-Trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.282095081 u |
| Formula |
C31H38O3 |
| InChI |
InChI=1S/C31H38O3/c1-22(13-9-10-14-23(2)17-12-18-25(4)27(6)32)15-11-16-24(3)19-20-28-26(5)30(34)29(33)21-31(28,7)8/h9-18,29,33H,21H2,1-8H3/b10-9+,15-11+,17-12+,22-13+,23-14+,24-16+,25-18+/t29-/m0/s1 |
| InChIKey |
NIJIWUMFAXOVCR-VBQJELNCSA-N |
| Molecular Weight |
458.642 g/mol |
| SMILES |
C1(=C(C(=O)[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 |
![(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one](/api/spectrum/69e8JyihZcf/structure.png?h=300&w=458 "(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one")
