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(-)-(7'S,8'S)-THREO-CAROLIGNAN-X

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(-)-(7'S,8'S)-THREO-CAROLIGNAN-X
SpectraBase Compound ID 13ESUmhqOzd
InChI InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39-/m0/s1
InChIKey ZLYDRQZJTMLSQL-GUOZKVRWSA-N
Mol Weight 700.7 g/mol
Molecular Formula C39H40O12
Exact Mass 700.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMjfn8Y8LMv
Name (-)-(7'S,8'S)-THREO-CAROLIGNAN-X
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H40O12
InChI InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39-/m0/s1
InChIKey ZLYDRQZJTMLSQL-GUOZKVRWSA-N
Literature Reference Author H.C.HUANG,C.T.CHIOU,P.C.HSIAO,C.C.LIAW,L.J.ZHANG,C.L.CHANG,I .S.CHEN
Literature Reference Citation MOLECULES,17,1837(2012)
Literature Reference DOI 10.3390/molecules17021837
Molecular Weight 700.739 g/mol
Sample ID 1139
Solvent CDCl3