John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=83T0vadYVsa SpectraBase Spectrum ID=1JRtrwQ0lm5

(accessed ).
CALAMISTRIN-F
SpectraBase Compound ID 83T0vadYVsa
InChI InChI=1S/C37H66O7/c1-3-4-5-6-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-9-7-8-10-12-15-18-30(38)22-21-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
InChIKey ORSYGIAIOCQPJE-LUVUIASKSA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H66O7
Exact Mass 622.480855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JRtrwQ0lm5
Name CALAMISTRIN-F
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-13-16-19-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)20-17-14-11-9-7-8-10-12-15-18-30(38)22-21-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
InChIKey ORSYGIAIOCQPJE-LUVUIASKSA-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 622.927 g/mol
Solvent CDCl3
Source File Reference UWGE3823
SpectraBase Batch ID EHauaupkNUg