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CHINENSIOLIDE_E;10-ALPHA-HYDROXY-3-BETA-O-[2,6-DI-(PARA-HYDROXYPHENYLACETYL)-BETA-GLUCOPYRANOSYL]-GUAIA-4-(15),11-(13)-DIENO-12,6-LACTONE
SpectraBase Compound ID 6c9uIVYb2Ju
InChI InChI=1S/C37H42O13/c1-18-24-12-13-37(3,45)25-16-26(19(2)30(25)33(24)50-35(18)44)47-36-34(49-29(41)15-21-6-10-23(39)11-7-21)32(43)31(42)27(48-36)17-46-28(40)14-20-4-8-22(38)9-5-20/h4-11,24-27,30-34,36,38-39,42-43,45H,1-2,12-17H2,3H3/t24-,25+,26-,27+,30-,31+,32-,33-,34+,36+,37+/m1/s1
InChIKey GDSPNUSHQQYFSK-MRBRCCCRSA-N
Mol Weight 694.7 g/mol
Molecular Formula C37H42O13
Exact Mass 694.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWhngjzrGMn
Name CHINENSIOLIDE_E;10-ALPHA-HYDROXY-3-BETA-O-[2,6-DI-(PARA-HYDROXYPHENYLACETYL)-BETA-GLUCOPYRANOSYL]-GUAIA-4-(15),11-(13)-DIENO-12,6-LACTONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H42O13
InChI InChI=1S/C37H42O13/c1-18-24-12-13-37(3,45)25-16-26(19(2)30(25)33(24)50-35(18)44)47-36-34(49-29(41)15-21-6-10-23(39)11-7-21)32(43)31(42)27(48-36)17-46-28(40)14-20-4-8-22(38)9-5-20/h4-11,24-27,30-34,36,38-39,42-43,45H,1-2,12-17H2,3H3/t24-,25+,26-,27+,30-,31+,32-,33-,34+,36+,37+/m1/s1
InChIKey GDSPNUSHQQYFSK-MRBRCCCRSA-N
Literature Reference Author S.ZHANG,M.ZHAO,L.BAI,T.HASEGAWA,J.WANG,H.XUE,Q.DENG,F.XING,Y .BAI,J.I.SAKAI,J.BAI
Literature Reference Citation J.NAT.PROD.,69,1425(2006)
Literature Reference DOI 10.1021/np068015j
Molecular Weight 694.733 g/mol
Solvent C5D5N
Source File Reference UWMZ15787