| SpectraBase Spectrum ID |
AaCCPUuw3g1 |
| Name |
Methyl-7,8-dioxo-8,9-seco-labdan-15-oate |
| CAS Registry Number |
108888-91-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-15(13-19(24)25-6)9-7-11-21(5)12-8-10-20(3,4)18(21)14-17(23)16(2)22/h15,18H,7-14H2,1-6H3/t15-,18-,21-/m0/s1 |
| InChIKey |
FKPMCLZIXPKUQP-XERREHJYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
[C@]1(CC(C(=O)C)=O)([C@@](CCC[C@@](CC(=O)OC)(C)[H])(CCCC1(C)C)C)[H] |
| SPLASH |
splash10-00yi-9800000000-734f49be5843ef39d0d2 |
| Source of Spectrum |
F-42-4574-26 |
| Synonyms |
Methyl (3S)-6-[(1S,2S)-2-(2,3-dioxobutyl)-1,3,3-trimethylcyclohexyl]-3-methylhexanoate |
| Wiley ID |
1343514 |
