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GREVILLOSIDE-K;ROBUSTASIDE-D-2'-O-2,5-DIHYDROXYCINNAMATE
SpectraBase Compound ID ItSCgyrJmMS
InChI InChI=1S/C30H28O13/c31-18-2-5-21(6-3-18)41-29-28(43-25(36)8-1-17-15-20(33)4-7-22(17)34)27(38)26(37)23(42-29)16-40-24(35)11-14-30(39)12-9-19(32)10-13-30/h1-15,23,26-29,31,33-34,37-39H,16H2/b8-1+,14-11+/t23-,26-,27+,28-,29-/m1/s1
InChIKey IXYPYNQLBCEARK-OSWGKOGWSA-N
Mol Weight 596.54 g/mol
Molecular Formula C30H28O13
Exact Mass 596.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbsPSu8d4Az
Name GREVILLOSIDE-K;ROBUSTASIDE-D-2'-O-2,5-DIHYDROXYCINNAMATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28O13
InChI InChI=1S/C30H28O13/c31-18-2-5-21(6-3-18)41-29-28(43-25(36)8-1-17-15-20(33)4-7-22(17)34)27(38)26(37)23(42-29)16-40-24(35)11-14-30(39)12-9-19(32)10-13-30/h1-15,23,26-29,31,33-34,37-39H,16H2/b8-1+,14-11+/t23-,26-,27+,28-,29-/m1/s1
InChIKey IXYPYNQLBCEARK-OSWGKOGWSA-N
Literature Reference Author Y.YAMASHITA-HIGUCHI,S.SUGIMOTOT,K.MATSUNAMI,H.OTSUKA,T.NAKAI
Literature Reference Citation CHEM.PHARM.BULL.,62,364(2014)
Literature Reference DOI 10.1248/cpb.c13-00962
Molecular Weight 596.545 g/mol
Solvent CD3OD
Source File Reference UWBT13844