| SpectraBase Spectrum ID |
3LtaTwVtDCL |
| Name |
pimaric acid pentafluorobenzyl ester |
| Alternate Name(s) |
2,3,4,5,6-pentafluorobenzyl (4alpha)-pimara-8(14),15-dien-18-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31F5O2 |
| InChI |
InChI=1S/C27H31F5O2/c1-5-25(2)12-9-17-15(13-25)7-8-18-26(17,3)10-6-11-27(18,4)24(33)34-14-16-19(28)21(30)23(32)22(31)20(16)29/h5,13,17-18H,1,6-12,14H2,2-4H3/t17?,18?,25-,26-,27-/m1/s1 |
| InChIKey |
FFQZEJHCWJWEJG-FJKIEUDSSA-N |
| Molecular Weight |
482.535 g/mol |
| SMILES |
c1(c(c(F)c(c(c1F)F)F)F)COC([C@]1(C2[C@](C3CC[C@](C=C3CC2)(C=C)C)(C)CCC1)C)=O |
| SPLASH |
splash10-05gi-3911200000-86b50ef26f672c7163c7 |
| Source of Spectrum |
O-31-1163-0 |
| Wiley ID |
1395635 |
