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ASPERULOIDE-A
SpectraBase Compound ID HbT8iZqGMv
InChI InChI=1S/C27H38O13/c1-10-4-5-12-14(8-36-25(34)18(10)12)24(33)38-16-6-13-15(23(32)35-3)9-37-26(19(13)11(16)2)40-27-22(31)21(30)20(29)17(7-28)39-27/h9-14,16-22,26-31H,4-8H2,1-3H3/t10-,11-,12?,13?,14+,16-,17-,18?,19?,20-,21+,22-,26-,27+/m0/s1
InChIKey BQMYRPGSJXGSKG-GFJWWZSNSA-N
Mol Weight 570.6 g/mol
Molecular Formula C27H38O13
Exact Mass 570.231241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JB04zCqNzC7
Name ASPERULOIDE-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O13
InChI InChI=1S/C27H38O13/c1-10-4-5-12-14(8-36-25(34)18(10)12)24(33)38-16-6-13-15(23(32)35-3)9-37-26(19(13)11(16)2)40-27-22(31)21(30)20(29)17(7-28)39-27/h9-14,16-22,26-31H,4-8H2,1-3H3/t10-,11-,12?,13?,14+,16-,17-,18?,19?,20-,21+,22-,26-,27+/m0/s1
InChIKey BQMYRPGSJXGSKG-GFJWWZSNSA-N
Literature Reference Author A.PARK,H.J.KIM,J.S.LEE,E.R.WOO,H.PARK,Y.S.LEE
Literature Reference Citation J.NAT.PROD.,65,1363(2002)
Literature Reference DOI 10.1021/np020017q
Molecular Weight 570.591 g/mol
Solvent CD3OD
Source File Reference UWSI5253