John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5EvZcK4jP5O SpectraBase Spectrum ID=11aRoUlU2xW

(accessed ).
CRELLISIN
SpectraBase Compound ID 5EvZcK4jP5O
InChI InChI=1S/C34H50O11/c1-12-17(4)33(39)45-30-27-19(6)25(43-26(37)13-18(5)20(7)41-22(9)35)14-24(34(11)15-40-34)29(27)28(21(8)42-23(10)36)31(30)44-32(38)16(2)3/h13,16-17,20-21,24-25,27-31H,6,12,14-15H2,1-5,7-11H3/b18-13+/t17?,20?,21?,24-,25-,27?,28-,29+,30+,31+,34?/m1/s1
InChIKey IEBGVYMRRICRPK-VHOIJNNZSA-N
Mol Weight 634.8 g/mol
Molecular Formula C34H50O11
Exact Mass 634.335313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11aRoUlU2xW
Name CRELLISIN
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H50O11
InChI InChI=1S/C34H50O11/c1-12-17(4)33(39)45-30-27-19(6)25(43-26(37)13-18(5)20(7)41-22(9)35)14-24(34(11)15-40-34)29(27)28(21(8)42-23(10)36)31(30)44-32(38)16(2)3/h13,16-17,20-21,24-25,27-31H,6,12,14-15H2,1-5,7-11H3/b18-13+/t17?,20?,21?,24-,25-,27?,28-,29+,30+,31+,34?/m1/s1
InChIKey IEBGVYMRRICRPK-VHOIJNNZSA-N
Literature Reference Author H.CHEN,Z.J.JIA,R.X.TAN
Literature Reference Citation PLANTA.MED.,63,245(1997)
Literature Reference DOI 10.1055/s-2006-957663
Molecular Weight 634.764 g/mol
Solvent CDCl3
Source File Reference UIAP933
SpectraBase Batch ID CVtJQ0pzp1u