| SpectraBase Spectrum ID |
9oAsJzhWOEF |
| Name |
Abietate |
| CAS Registry Number |
1235-74-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 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/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1 |
| InChIKey |
PGZCJOPTDHWYES-HMXCVIKNSA-N |
| Molecular Weight |
314.469 g/mol |
| Number of Peaks |
50 |
| RI1 |
2341 |
| RI2 |
2012 |
| SMILES |
C1C[C@]([C@]2([C@](C1)(c1c(CC2)cc(cc1)C(C)C)C)[H])(C(OC)=O)C |
| SPLASH |
splash10-000i-4891000000-1d68517cf9f3fe81d35b |
| 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,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)- |
| Wiley ID |
LM_FFNSC3_1770 |
