| SpectraBase Spectrum ID |
IqWVgXQZs9X |
| Name |
Methyl neoabietate |
| CAS Registry Number |
3310-97-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3 |
| InChIKey |
XLNYKQDSHLEWFW-UHFFFAOYSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CCC=2C1CCC(C2)=C(C)C |
| SPLASH |
splash10-000i-3901000000-eee5409c96e98041cac7 |
| Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887651 |
![1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-](/api/spectrum/IqWVgXQZs9X/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-")
