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Lophodiol A
SpectraBase Compound ID 8buVx4PGxKO
InChI InChI=1S/C22H26O9/c1-10(2)12-5-14-13(9-23)6-15(29-14)18(25)21(4,27)8-16-19-22(31-19,20(26)30-16)17(7-12)28-11(3)24/h6,9,12,16-19,25,27H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22?/m0/s1
InChIKey HDOFLMSTYCZGEX-LAUVXVJJSA-N
Mol Weight 434.44 g/mol
Molecular Formula C22H26O9
Exact Mass 434.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DtEt6w8OwK
Name Lophodiol A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O9
InChI InChI=1S/C22H26O9/c1-10(2)12-5-14-13(9-23)6-15(29-14)18(25)21(4,27)8-16-19-22(31-19,20(26)30-16)17(7-12)28-11(3)24/h6,9,12,16-19,25,27H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22?/m0/s1
InChIKey HDOFLMSTYCZGEX-LAUVXVJJSA-N
Molecular Weight 434.441 g/mol
SMILES O[C@@]1(c2oc(C[C@@](C[C@](C34[C@]([C@](C[C@@]1(O)C)(OC4=O)[H])(O3)[H])(OC(=O)C)[H])(C(=C)C)[H])c(c2)C=O)[H]
SPLASH splash10-000i-0932200000-95bed2a46561d3f06266
Source of Spectrum G4-69-1753-3
Wiley ID 1694569