| SpectraBase Spectrum ID |
GhgH7BIILMP |
| Name |
Sterterpenoic ester [N-non-2'-en-1'-yl 13-(15,19,19-trimethylcyclohex-14,16-dienyl)-2,6,10-trimethyltetradec-6-ol-13-on-1-oate] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.433510344 u |
| Formula |
C34H58O4 |
| InChI |
InChI=1S/C34H58O4/c1-8-9-10-11-12-13-14-26-38-32(36)29(4)20-17-25-34(7,37)24-15-18-27(2)21-22-30(35)31-28(3)19-16-23-33(31,5)6/h13-14,16,19,27,29,37H,8-12,15,17-18,20-26H2,1-7H3/b14-13+ |
| InChIKey |
LGSBMPVBUGKTMQ-BUHFOSPRSA-N |
| Molecular Weight |
530.834 g/mol |
| SMILES |
C1(=C(C=CCC1(C)C)C)C(=O)CCC(CCCC(O)(CCCC(C(=O)OC\C=C\CCCCCC)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823881 |
![Sterterpenoic ester [n-non-2'-en-1'-yl 13-(15,19,19-trimethylcyclohex-14,16-dienyl)-2,6,10-trimethyltetradec-6-ol-13-on-1-oate]](/api/spectrum/GhgH7BIILMP/structure.png?h=300&w=458 "Sterterpenoic ester [n-non-2'-en-1'-yl 13-(15,19,19-trimethylcyclohex-14,16-dienyl)-2,6,10-trimethyltetradec-6-ol-13-on-1-oate]")
