John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=29NYV8xhhL9 SpectraBase Spectrum ID=2bTmQSqVLKA

(accessed ).
CAESALPININ-MC
SpectraBase Compound ID 29NYV8xhhL9
InChI InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h11,20-21,27H,7-10,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
InChIKey QGJFJVCCXOJVOE-AWAHEQQVSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bTmQSqVLKA
Name CAESALPININ-MC
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h11,20-21,27H,7-10,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
InChIKey QGJFJVCCXOJVOE-AWAHEQQVSA-N
Literature Reference Author S.K.KALAUNI,S.AWALE,Y.TEZUKA,A.H.BANSKOTA,T.Z.LINN,S.KADOTA
Literature Reference Citation J.NAT.PROD.,67,1859(2004)
Literature Reference DOI 10.1021/np049742m
Molecular Weight 416.514 g/mol
Solvent CDCl3
Source File Reference UWMZ6728
SpectraBase Batch ID 6BowSAv7J8s