| SpectraBase Spectrum ID |
D4eXrDDg793 |
| Name |
Methyl 8-oxo-8,9seco-labdan-15-oate |
| Alternate Name(s) |
Methyl (3S)-3-methyl-6-[(1S,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]hexanoate |
| CAS Registry Number |
108888-84-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O3 |
| InChI |
InChI=1S/C21H38O3/c1-16(15-19(23)24-6)9-7-13-21(5)14-8-12-20(3,4)18(21)11-10-17(2)22/h16,18H,7-15H2,1-6H3/t16-,18-,21-/m0/s1 |
| InChIKey |
GCJBVUQXSCMZQD-MDKPJZGXSA-N |
| Molecular Weight |
338.532 g/mol |
| SMILES |
[C@@]1([C@@](CCC[C@@](CC(=O)OC)(C)[H])(CCCC1(C)C)C)(CCC(=O)C)[H] |
| SPLASH |
splash10-00rt-9701000000-6976347607835a28c025 |
| Source of Spectrum |
F-42-4573-20 |
| Wiley ID |
1334097 |
