| SpectraBase Spectrum ID |
FUu36kH1JAi |
| Name |
16-Acetoxy-6-oxo-7,13-labdadien-15-oic acid, me ester derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.240624190 u |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-15-12-19(25)21-22(3,4)10-7-11-23(21,5)18(15)9-8-17(13-20(26)27-6)14-28-16(2)24/h12-13,18,21H,7-11,14H2,1-6H3/b17-13+/t18-,21-,23+/m0/s1 |
| InChIKey |
PHJRUQKEJPSVIY-YZLSBOPKSA-N |
| Molecular Weight |
390.520 g/mol |
| SMILES |
C1CCC(C)(C)[C@]2([C@@]1(C)[C@](C(=CC2=O)C)(CC\C(COC(=O)C)=C/C(=O)OC)[H])[H] |
