| SpectraBase Spectrum ID |
6dnQAZjKCAI |
| Name |
Methyl labdan-19-oate |
| Alternate Name(s) |
Methyl (4aR,5S,6S,8aR)-1,4a,6-trimethyl-5-[(3R)-3-methylpentyl]decahydro-1-naphthalenecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O2 |
| InChI |
InChI=1S/C21H38O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18-,20-,21?/m1/s1 |
| InChIKey |
WKDJWRYJJPKCBQ-QKNSCDFVSA-N |
| Molecular Weight |
322.533 g/mol |
| SMILES |
[C@@]12([C@](C(C(=O)OC)(C)CCC2)(CC[C@@]([C@@]1(CC[C@@](CC)(C)[H])[H])(C)[H])[H])C |
| SPLASH |
splash10-0ac3-9510000000-f2f17d3878bd484d5212 |
| Source of Spectrum |
Y4-89-720-13 |
| Wiley ID |
1550370 |
