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CALAMISTRIN-D

View entire compound with spectra: 1 NMR

CALAMISTRIN-D
SpectraBase Compound ID FbnPLleWHvx
InChI InChI=1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32?,33-,34+,35+,36+/m0/s1
InChIKey JOHOCUBTTQAHLI-NWGXSNPTSA-N
Mol Weight 608.9 g/mol
Molecular Formula C37H68O6
Exact Mass 608.50159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgEwr9bgEnN
Name CALAMISTRIN-D
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H68O6
InChI InChI=1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32?,33-,34+,35+,36+/m0/s1
InChIKey JOHOCUBTTQAHLI-NWGXSNPTSA-N
Literature Reference Author G.X.ZHOU,R.Y.CHEN,Y.J.ZHANG,D.Q.YU
Literature Reference Citation J.NAT.PROD.,63,1201(2000)
Literature Reference DOI 10.1021/np000045d
Molecular Weight 608.943 g/mol
Solvent CDCl3
Source File Reference UWGE3821