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#10;ERYNGIOSIDE-G;21-BETA-ANGELOYLOXY-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLEAN-12-ENE-15-ALPHA
SpectraBase Compound ID 6fUizJhfJ2e
InChI InChI=1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)52(20-54)23(17-47(41,3)4)22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(52)63)70-46-37(73-45-33(60)31(58)30(57)25(18-53)69-45)35(34(61)36(72-46)42(65)66)71-44-32(59)29(56)24(55)19-68-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66)/b21-10-/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,44-,45-,46+,49-,50+,51-,52-/m0/s1
InChIKey HTPOVGFXPOLNIW-VKSHZZKYSA-N
Mol Weight 1059.2 g/mol
Molecular Formula C52H82O22
Exact Mass 1058.529774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HB1qpSXcvdB
Name #10;ERYNGIOSIDE-G;21-BETA-ANGELOYLOXY-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLEAN-12-ENE-15-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H82O22
InChI InChI=1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)52(20-54)23(17-47(41,3)4)22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(52)63)70-46-37(73-45-33(60)31(58)30(57)25(18-53)69-45)35(34(61)36(72-46)42(65)66)71-44-32(59)29(56)24(55)19-68-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66)/b21-10-/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,44-,45-,46+,49-,50+,51-,52-/m0/s1
InChIKey HTPOVGFXPOLNIW-VKSHZZKYSA-N
Literature Reference Author Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY
Literature Reference Citation PHYTOCHEM.,69,2070(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.03.020
Molecular Weight 1059.210 g/mol
Sample ID 63230
Solvent C5D5N