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8,15-isopimaric acid pentafluorobenzyl ester
SpectraBase Compound ID KXKYniAkpvR
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/h5,18H,1,6-14H2,2-4H3/t18?,25-,26+,27+/m0/s1
InChIKey FVMJGUDOACRIQX-YEVVYQRPSA-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 59AbQQdAq9S
Name 8,15-isopimaric 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/h5,18H,1,6-14H2,2-4H3/t18?,25-,26+,27+/m0/s1
InChIKey FVMJGUDOACRIQX-YEVVYQRPSA-N
Molecular Weight 482.535 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC([C@]1(C2[C@](C=3CC[C@@](CC3CC2)(C=C)C)(C)CCC1)C)=O
SPLASH splash10-0536-4960000000-84855023bb79c85d27ad
Source of Spectrum O-31-1163-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (4alpha,13alpha)-pimara-8,15-dien-18-oate
Wiley ID 1395633