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sandaracopimaric acid pentafluorobenzyl ester
SpectraBase Compound ID BE5KA2zJiPK
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+/m0/s1
InChIKey FFQZEJHCWJWEJG-PJFDFHLVSA-N
Mol Weight 482.54 g/mol
Molecular Formula C27H31F5O2
Exact Mass 482.224421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JkEUaYFwXB
Name sandaracopimaric acid pentafluorobenzyl ester
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+/m0/s1
InChIKey FFQZEJHCWJWEJG-PJFDFHLVSA-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 splash10-05hc-3910300000-d4b78bd5c134e3eb878f
Source of Spectrum O-31-1163-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (4alpha,13alpha)-pimara-8(14),15-dien-18-oate
Wiley ID 1395634