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ARISTOLOIN-I;16-ALPHA-HYDROXY-ENT-17-KAURANYL-ARISTOLOCHATE-I
SpectraBase Compound ID EWLH6hjgqlW
InChI InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(40,18-36)19-44-33(39)24-16-27-32(46-20-45-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,40H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1
InChIKey KJRNIPCHVAAIKZ-ITGUHTALSA-N
Mol Weight 629.8 g/mol
Molecular Formula C37H43NO8
Exact Mass 629.298867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 450yyw08ZCt
Name ARISTOLOIN-I;16-ALPHA-HYDROXY-ENT-17-KAURANYL-ARISTOLOCHATE-I
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H43NO8
InChI InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(40,18-36)19-44-33(39)24-16-27-32(46-20-45-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,40H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1
InChIKey KJRNIPCHVAAIKZ-ITGUHTALSA-N
Literature Reference Author I.R.NASCIMENTO,L.M.X.LOPES
Literature Reference Citation PHYTOCHEM.,63,953(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00335-2
Molecular Weight 629.750 g/mol
Solvent CDCl3
Source File Reference UWMS28444