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TRIGOCHININ-C
SpectraBase Compound ID 91S8lQd60yv
InChI InChI=1S/C38H42O11/c1-19(2)35(42)29-21(4)36-26-18-20(3)28(43-22(5)39)37(26)33(45-32(41)24-14-10-8-11-15-24)34(7,48-37)30(44-23(6)40)27(36)31(35)47-38(46-29,49-36)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,42H,1,18H2,2-7H3/t20-,21+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+,38+/m0/s1
InChIKey VZHYQMPVSVXQOQ-QEDJMQNKSA-N
Mol Weight 674.7 g/mol
Molecular Formula C38H42O11
Exact Mass 674.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9my0te10Eel
Name TRIGOCHININ-C
Compound Number 87
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O11
InChI InChI=1S/C38H42O11/c1-19(2)35(42)29-21(4)36-26-18-20(3)28(43-22(5)39)37(26)33(45-32(41)24-14-10-8-11-15-24)34(7,48-37)30(44-23(6)40)27(36)31(35)47-38(46-29,49-36)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,42H,1,18H2,2-7H3/t20-,21+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+,38+/m0/s1
InChIKey VZHYQMPVSVXQOQ-QEDJMQNKSA-N
Literature Reference Author H.B.WANG,L.P.LIU,X.Y.WANG
Literature Reference Citation MAGN.RES.CHEM.,51,580(2013)
Literature Reference DOI 10.1002/mrc.3978
Molecular Weight 674.745 g/mol
Solvent CDCl3
Source File Reference UWIR13538