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NEOCALYCOPTERONE-4-METHYLESTER

View entire compound with spectra: 1 NMR

NEOCALYCOPTERONE-4-METHYLESTER
SpectraBase Compound ID Dt87Pj8UcXH
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/t23-,24-,25?,35-,36-/m1/s1
InChIKey AOIFTQSYQCTSIR-MUVOVRFMSA-N
Mol Weight 628.7 g/mol
Molecular Formula C36H36O10
Exact Mass 628.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WVqsUwsvdb
Name NEOCALYCOPTERONE-4-METHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t23-,24-,25?,35-,36-/m1/s1
InChIKey AOIFTQSYQCTSIR-MUVOVRFMSA-N
Literature Reference Author R.MAYER
Literature Reference Citation J.NAT.PROD.,62,1274(1999)
Literature Reference DOI 10.1021/np990182e
Molecular Weight 628.676 g/mol
Solvent CDCl3
Source File Reference UWCP8658