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levopimaric acid pentafluorobenzyl ester
SpectraBase Compound ID 98ZCrLqel1c
InChI InChI=1S/C27H31F5O2/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/h6,12,14,18-19H,5,7-11,13H2,1-4H3/t18?,19?,26-,27-/m1/s1
InChIKey TVBSFCZNSXFBIA-AVIVEMRVSA-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 6chpIZl4gfx
Name levopimaric acid pentafluorobenzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31F5O2
InChI InChI=1S/C27H31F5O2/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/h6,12,14,18-19H,5,7-11,13H2,1-4H3/t18?,19?,26-,27-/m1/s1
InChIKey TVBSFCZNSXFBIA-AVIVEMRVSA-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 splash10-001l-3900100000-e6fb9bd31737d44d5690
Source of Spectrum O-31-1163-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (4beta)-abieta-8(14),12-dien-18-oate
Wiley ID 1395638