| SpectraBase Spectrum ID |
4SU2ZTzHuCB |
| Name |
Methyl isopimarate |
| CAS Registry Number |
1686-62-0 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3 |
| InChIKey |
QMZKBAQNFAMESG-UHFFFAOYSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
216 |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CC=C2C1CCC(C2)(C=C)C |
| SPLASH |
splash10-052f-6950000000-a002a22e73ca6949a089 |
| Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001886 |
![1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,10a.alpha.)]-](/api/spectrum/4SU2ZTzHuCB/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,10a.alpha.)]-")
