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#2;IXEROCHINOSIDE;3-BETA-(6''-PHENYLACETYLOXY-BETA-D-GLUCOPYRANOSYLOXY)-8-BETA-(PARA-HYDROXYPHENYLACETYLOXY)-GUAIA-4(15),10(14),11(13)-TRIEN-1-ALPHA,5-ALPHA,6-B

View entire compound with spectra: 1 NMR

#2;IXEROCHINOSIDE;3-BETA-(6''-PHENYLACETYLOXY-BETA-D-GLUCOPYRANOSYLOXY)-8-BETA-(PARA-HYDROXYPHENYLACETYLOXY)-GUAIA-4(15),10(14),11(13)-TRIEN-1-ALPHA,5-ALPHA,6-B
SpectraBase Compound ID 2g3HifRZSuz
InChI InChI=1S/C37H40O13/c1-17-12-26(47-29(41)14-21-6-10-23(39)11-7-21)31-19(3)36(45)50-35(31)30-18(2)25(15-24(17)30)48-37-34(44)33(43)32(42)27(49-37)16-46-28(40)13-20-4-8-22(38)9-5-20/h4-11,24-27,30-35,37-39,42-44H,1-3,12-16H2/t24-,25-,26+,27+,30-,31+,32+,33-,34+,35+,37+/m0/s1
InChIKey HMUFZGUGGDDWBV-ITNUQCNVSA-N
Mol Weight 692.7 g/mol
Molecular Formula C37H40O13
Exact Mass 692.246891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFVcIacrupc
Name #2;IXEROCHINOSIDE;3-BETA-(6''-PHENYLACETYLOXY-BETA-D-GLUCOPYRANOSYLOXY)-8-BETA-(PARA-HYDROXYPHENYLACETYLOXY)-GUAIA-4(15),10(14),11(13)-TRIEN-1-ALPHA,5-ALPHA,6-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O13
InChI InChI=1S/C37H40O13/c1-17-12-26(47-29(41)14-21-6-10-23(39)11-7-21)31-19(3)36(45)50-35(31)30-18(2)25(15-24(17)30)48-37-34(44)33(43)32(42)27(49-37)16-46-28(40)13-20-4-8-22(38)9-5-20/h4-11,24-27,30-35,37-39,42-44H,1-3,12-16H2/t24-,25-,26+,27+,30-,31+,32+,33-,34+,35+,37+/m0/s1
InChIKey HMUFZGUGGDDWBV-ITNUQCNVSA-N
Literature Reference Author A.T.KHALIL,Y.C.SHEN,J.H.GUH,S.Y.CHENG
Literature Reference Citation CHEM.PHARM.BULL.,53,15(2005)
Literature Reference DOI 10.1248/cpb.53.15
Molecular Weight 692.717 g/mol
Sample ID 54721
Solvent CD3OD