John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=18FOTxla617 SpectraBase Spectrum ID=8t3hyYdx3q2

(accessed ).
TASUMATROL_Z
SpectraBase Compound ID 18FOTxla617
InChI InChI=1S/C31H36O11/c1-16-11-12-28-22(16)31(37,26(36)42-27(28,4)5)29(14-38-17(2)32)20(34)13-21-30(15-39-21,41-18(3)33)23(29)24(28)40-25(35)19-9-7-6-8-10-19/h6-10,20-21,23-24,34,37H,11-15H2,1-5H3/t20-,21+,23?,24-,28-,29+,30-,31+/m0/s1
InChIKey GISHCNFJVUJUHA-OFSWITBPSA-N
Mol Weight 584.6 g/mol
Molecular Formula C31H36O11
Exact Mass 584.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8t3hyYdx3q2
Name TASUMATROL_Z
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O11
InChI InChI=1S/C31H36O11/c1-16-11-12-28-22(16)31(37,26(36)42-27(28,4)5)29(14-38-17(2)32)20(34)13-21-30(15-39-21,41-18(3)33)23(29)24(28)40-25(35)19-9-7-6-8-10-19/h6-10,20-21,23-24,34,37H,11-15H2,1-5H3/t20-,21+,23?,24-,28-,29+,30-,31+/m0/s1
InChIKey GISHCNFJVUJUHA-OFSWITBPSA-N
Literature Reference Author Y.C.SHEN,S.S.WANG,C.T.CHIEN,Y.H.KUO,A.T.KHALIL
Literature Reference Citation J.NAT.PROD.,71,576(2008)
Literature Reference DOI 10.1021/np078016r
Molecular Weight 584.620 g/mol
Sample ID 27612
Solvent CDCl3
SpectraBase Batch ID 4I39uMOy0D4