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Griseochelin methyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Griseochelin methyl ester
SpectraBase Compound ID IhwzfIbJCiu
InChI InChI=1S/C34H62O7/c1-11-14-20(2)19-23(5)30(36)21(3)15-12-13-16-28(35)24(6)31(37)26(8)32(38)27(9)33-22(4)17-18-29(41-33)25(7)34(39)40-10/h12,15,19-22,24-33,35-38H,11,13-14,16-18H2,1-10H3/b15-12+,23-19+
InChIKey FVCSFNMNNBRTIS-RPJVLSHYSA-N
Mol Weight 582.9 g/mol
Molecular Formula C34H62O7
Exact Mass 582.449554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27N2sDbLlxa
Name Griseochelin methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 582.449554329 u
Formula C34H62O7
InChI InChI=1S/C34H62O7/c1-11-14-20(2)19-23(5)30(36)21(3)15-12-13-16-28(35)24(6)31(37)26(8)32(38)27(9)33-22(4)17-18-29(41-33)25(7)34(39)40-10/h12,15,19-22,24-33,35-38H,11,13-14,16-18H2,1-10H3/b15-12+,23-19+
InChIKey FVCSFNMNNBRTIS-RPJVLSHYSA-N
Molecular Weight 582.863 g/mol
SMILES CCCC(C)\C=C/(C)C(C(C)\C=C\CCC(C(C)C(C(C)C(C(C)C1C(CCC(O1)C(C)C(=O)OC)C)O)O)O)O