| SpectraBase Spectrum ID |
J22NqBzBkWM |
| Name |
Octyl hemidesdisterpenoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.386560150 u |
| Formula |
C28H52O4 |
| InChI |
InChI=1S/C28H52O4/c1-7-9-10-11-12-13-21-32-28(31)25(6)16-14-15-24(5)27(30)20-18-22(3)17-19-26(29)23(4)8-2/h17,23-25,27,30H,7-16,18-21H2,1-6H3/b22-17+ |
| InChIKey |
FYGCQLMWUXKLRM-OQKWZONESA-N |
| Molecular Weight |
452.720 g/mol |
| SMILES |
CCC(C)C(=O)C\C=C\(CCC(O)C(CCCC(C(OCCCCCCCC)=O)C)C)C |
