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QIANHUCOUMARIN-I;3'(S)-ACETOXY-4'(S)-TIGLOYLOXY-3',4'-DIHYDRO-SESELIN
SpectraBase Compound ID FQQN6feMoh0
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19-/m1/s1
InChIKey LYUZYPKZQDYMEE-CCGSVPMNSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GopS5t0ugYZ
Name QIANHUCOUMARIN-I;3'(S)-ACETOXY-4'(S)-TIGLOYLOXY-3',4'-DIHYDRO-SESELIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19-/m1/s1
InChIKey LYUZYPKZQDYMEE-CCGSVPMNSA-N
Literature Reference Author L.Y.KONG,Z.D.MIN,Y.LI,X.LI,Y.H.PEI
Literature Reference Citation PHYTOCHEM.,42,1689(1996)
Literature Reference DOI 10.1016/0031-9422(96)00178-1
Molecular Weight 386.401 g/mol
Solvent CDCl3
Source File Reference UWVN3310