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Longithorone F
SpectraBase Compound ID HRFMtw3Ujj7
InChI InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9+,28-8-,29-11+/t34-,35+,37+,42-/m1/s1
InChIKey IQYUYMLTDIXDMM-FNWSQKGVSA-N
Mol Weight 632.8 g/mol
Molecular Formula C42H48O5
Exact Mass 632.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K0W7XwjJAI
Name Longithorone F
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H48O5
InChI InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9+,28-8-,29-11+/t34-,35+,37+,42-/m1/s1
InChIKey IQYUYMLTDIXDMM-FNWSQKGVSA-N
Molecular Weight 632.841 g/mol
SMILES C=12C(C(C[C@]3([C@@]([C@@]4(C\C(=C\CC5=CC(C(C\C(=C/CCC(=C4)C3)C)=CC5=O)=O)C)[H])(C=O)CC\C=C\(CC[C@]2(C(=C)C)[H])C)[H])=CC(C1)=O)=O
SPLASH splash10-00di-0009000000-5f5ebb73dca02602a8f9
Source of Spectrum J-62-3818-5
Synonyms Longithorone E
Wiley ID 1412225