| SpectraBase Spectrum ID |
AiV9WFRG1gz |
| Name |
Pimaric acid methyl ester |
| Alternate Name(s) |
Methyl (1R,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m0/s1 |
| InChIKey |
BGCXKCIPDDNDEV-MIGBRYPXSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
C1C[C@]2([C@@](CCC=3[C@@]2(CC[C@@](C3)(C)C=C)[H])([C@@](C1)(C(OC)=O)C)[H])C |
| SPLASH |
splash10-00di-0911000000-3680ac7768bc1d3d182c |
| Source of Spectrum |
RCM-22-3713-Table1,entry20 |
| Wiley ID |
1814520 |
