| SpectraBase Spectrum ID |
BdciTIXgkxR |
| Name |
Methyl 7,13,15-abietatatrienoate |
| CAS Registry Number |
54850-32-7 |
| 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 |
314.224580204 u |
| Formula |
C21H30O2 |
| 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/h8,13,17-18H,1,6-7,9-12H2,2-5H3 |
| InChIKey |
VFWGUFBDEBVPBM-UHFFFAOYSA-N |
| Molecular Weight |
314.469 g/mol |
| Number of Peaks |
50 |
| RI1 |
2504 |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CC=C2C1CCC(=C2)C(C)=C |
| SPLASH |
splash10-0w30-2942000000-e7a14d6b933195deef95 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester |
| Wiley ID |
LM_FFNSC3_2409 |
