| SpectraBase Spectrum ID |
LBoFhrN2ASN |
| Name |
7-Oxodehydroabietic acid pentafluorobenzyl ester |
| Alternate Name(s) |
2,3,4,5,6-pentafluorobenzyl (4beta)-7-oxoabieta-8,11,13-trien-18-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H27F5O3 |
| InChI |
InChI=1S/C27H27F5O3/c1-13(2)14-6-7-17-15(10-14)18(33)11-19-26(17,3)8-5-9-27(19,4)25(34)35-12-16-20(28)22(30)24(32)23(31)21(16)29/h6-7,10,13,19H,5,8-9,11-12H2,1-4H3/t19?,26-,27-/m1/s1 |
| InChIKey |
JATLKFVBKAYMPX-DZXQMXLPSA-N |
| Molecular Weight |
494.502 g/mol |
| SMILES |
c1(c(c(F)c(c(c1F)F)F)F)COC([C@]1(C2[C@](c3ccc(cc3C(C2)=O)C(C)C)(C)CCC1)C)=O |
| SPLASH |
splash10-0w29-0292000000-73975fed9dbb34ffce7a |
| Source of Spectrum |
O-31-1163-0 |
| Wiley ID |
1397884 |
