John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Dd6Jrk6l3GI SpectraBase Spectrum ID=2AOWiSfEo1

(accessed ).
TERRACINOLIDE-F
SpectraBase Compound ID Dd6Jrk6l3GI
InChI InChI=1S/C40H56O17/c1-19(2)35(48)54-34-29(50-22(6)41)33(52-24(8)43)37(11,12)16-14-21(5)30(47)40(56-26(10)45)18-38(13,55-25(9)44)31(51-23(7)42)28(40)32-39(34,17-15-27(46)53-32)57-36(49)20(3)4/h14,16,19-21,28-29,31-34H,15,17-18H2,1-13H3/b16-14+/t21-,28+,29-,31+,32+,33+,34-,38+,39-,40+/m0/s1
InChIKey ZSJFAQDKIXULKO-MXBBKPOHSA-N
Mol Weight 808.9 g/mol
Molecular Formula C40H56O17
Exact Mass 808.351751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AOWiSfEo1
Name TERRACINOLIDE-F
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O17
InChI InChI=1S/C40H56O17/c1-19(2)35(48)54-34-29(50-22(6)41)33(52-24(8)43)37(11,12)16-14-21(5)30(47)40(56-26(10)45)18-38(13,55-25(9)44)31(51-23(7)42)28(40)32-39(34,17-15-27(46)53-32)57-36(49)20(3)4/h14,16,19-21,28-29,31-34H,15,17-18H2,1-13H3/b16-14+/t21-,28+,29-,31+,32+,33+,34-,38+,39-,40+/m0/s1
InChIKey ZSJFAQDKIXULKO-MXBBKPOHSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC
Literature Reference Citation PHYTOCHEM.,45,137(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00797-2
Molecular Weight 808.874 g/mol
Solvent CDCl3
Source File Reference UWSP1237
SpectraBase Batch ID 8ikDhvMaUyg