John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JizXRyHt6iS SpectraBase Spectrum ID=2ABYfsb1ush

(accessed ).
CLEISTANTOXIN;(7-R,8-R,7'-R,8'-R)-7-HYDROXY-6-METHOXY-3',4':4,5-BIS-(METHYLENEDIOXY)-2,7'-CYCLOLIGNAN-9',9-OLIDE
SpectraBase Compound ID JizXRyHt6iS
InChI InChI=1S/C21H18O8/c1-24-20-17-10(5-14-19(20)29-8-28-14)15(16-11(18(17)22)6-25-21(16)23)9-2-3-12-13(4-9)27-7-26-12/h2-5,11,15-16,18,22H,6-8H2,1H3/t11-,15+,16-,18+/m0/s1
InChIKey GTFKUBXSHHHPRX-QOQPWIFLSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ABYfsb1ush
Name CLEISTANTOXIN;(7-R,8-R,7'-R,8'-R)-7-HYDROXY-6-METHOXY-3',4':4,5-BIS-(METHYLENEDIOXY)-2,7'-CYCLOLIGNAN-9',9-OLIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O8
InChI InChI=1S/C21H18O8/c1-24-20-17-10(5-14-19(20)29-8-28-14)15(16-11(18(17)22)6-25-21(16)23)9-2-3-12-13(4-9)27-7-26-12/h2-5,11,15-16,18,22H,6-8H2,1H3/t11-,15+,16-,18+/m0/s1
InChIKey GTFKUBXSHHHPRX-QOQPWIFLSA-N
Literature Reference Author V.T.T.THANH,V.C.PHAM,H.D.T.MAI,M.LITAUDON,F.GUERITTE,P.RETAI LLEAU,V.H.NGUYEN,V.M
Literature Reference Citation J.NAT.PROD.,75,1578(2012)
Literature Reference DOI 10.1021/np3003832
Molecular Weight 398.369 g/mol
Sample ID 41419
Solvent CDCl3
SpectraBase Batch ID IQnoetva1GM