| SpectraBase Spectrum ID |
B16PS3OaxVI |
| Name |
8(14)-abietnic acid pentafluorobenzyl ester |
| Alternate Name(s) |
2,3,4,5,6-pentafluorobenzyl (4beta)-abiet-8(14)-en-18-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33F5O2 |
| InChI |
InChI=1S/C27H33F5O2/c1-14(2)15-6-8-18-16(12-15)7-9-19-26(18,3)10-5-11-27(19,4)25(33)34-13-17-20(28)22(30)24(32)23(31)21(17)29/h12,14-15,18-19H,5-11,13H2,1-4H3/t15?,18?,19?,26-,27-/m1/s1 |
| InChIKey |
CGVCXDADEJCIKV-SQYMVXGKSA-N |
| Molecular Weight |
484.551 g/mol |
| SMILES |
c1(c(c(F)c(c(c1F)F)F)F)COC([C@]1(C2[C@](C3CCC(C=C3CC2)C(C)C)(C)CCC1)C)=O |
| SPLASH |
splash10-01c3-5960200000-38896849a564d6c3776d |
| Source of Spectrum |
O-31-1163-0 |
| Wiley ID |
1396022 |
