| SpectraBase Spectrum ID |
ITIPu0YI0YF |
| Name |
Dehydroabietic acid methyl ester |
| Alternate Name(s) |
Methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SMILES |
C1C[C@]2([C@@](CCc3c2ccc(c3)C(C)C)([C@@](C1)(C(OC)=O)C)[H])C |
| SPLASH |
splash10-000i-0091000000-6d4b1a779c3f60b8b127 |
| Source of Spectrum |
RCM-22-3713-Table1,entry27 |
| Wiley ID |
1814526 |
