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Averantin, pentamethyl ether

View entire compound with spectra: 1 NMR

Averantin, pentamethyl ether
SpectraBase Compound ID 1OuXWEXrMAC
InChI InChI=1S/C25H30O7/c1-7-8-9-10-17(29-3)22-19(31-5)13-16-21(25(22)32-6)24(27)20-15(23(16)26)11-14(28-2)12-18(20)30-4/h11-13,17H,7-10H2,1-6H3/t17-/m0/s1
InChIKey VXAMZIYPOGFWLZ-KRWDZBQOSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H30O7
Exact Mass 442.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHtxDXZuq8W
Name Averantin, pentamethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 442.199153299 u
Formula C25H30O7
InChI InChI=1S/C25H30O7/c1-7-8-9-10-17(29-3)22-19(31-5)13-16-21(25(22)32-6)24(27)20-15(23(16)26)11-14(28-2)12-18(20)30-4/h11-13,17H,7-10H2,1-6H3/t17-/m0/s1
InChIKey VXAMZIYPOGFWLZ-KRWDZBQOSA-N
Molecular Weight 442.508 g/mol
SMILES C1(=C(C(=CC2=C1C(C=1C(C2=O)=CC(=CC1OC)OC)=O)OC)[C@](CCCCC)(OC)[H])OC