SpectraBase Spectrum ID |
JZI1SCxhTjY |
Name |
Methyl dehydroabietate |
CAS Registry Number |
1235-74-1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H30O2 |
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/C21H30O2/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/h7,9,13-14,18H,6,8,10-12H2,1-5H3 |
InChIKey |
PGZCJOPTDHWYES-UHFFFAOYSA-N |
Molecular Weight |
314.469 g/mol |
SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CCc2c1ccc(c2)C(C)C |
SPLASH |
splash10-000i-2691000000-3de0897f1c26bc0b8f33 |
Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
1886701 |