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Neo-Calycopterone - 4-Methyl Ether

View entire compound with spectra: 1 MS (GC)

Neo-Calycopterone - 4-Methyl Ether
SpectraBase Compound ID HC0S636LogR
InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3
InChIKey AOIFTQSYQCTSIR-UHFFFAOYSA-N
Mol Weight 628.7 g/mol
Molecular Formula C36H36O10
Exact Mass 628.230847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLvwkoJ4Vp2
Name Neo-Calycopterone - 4-Methyl Ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36O10
InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3
InChIKey AOIFTQSYQCTSIR-UHFFFAOYSA-N
Molecular Weight 628.674 g/mol
SMILES C12(C3(C(=CCC(O3)c3ccccc3)C(C(=C2OC)OC)=O)Oc2c1c(c(c1OC(c3ccccc3)CC(c21)OC)OC)OC)OC
SPLASH splash10-004i-0200029000-36bdffeb736e78f75287
Source of Spectrum G4-62-1277-2
Wiley ID 1607975