SpectraBase Compound ID | 92ueY4o2lUn |
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InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(63)34(60)32(58)26(72-45)21-70-43-35(61)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-46-39(65)40(38(64)41(75-46)42(66)67)74-44-36(62)33(59)31(57)25(19-54)71-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
InChIKey | DSJMQKQXODRBAA-XXWXHSAUSA-N |
Mol Weight | 1089.2 g/mol |
Molecular Formula | C53H84O23 |
Exact Mass | 1088.540339 g/mol |
SpectraBase Spectrum ID | 7uKMLkElDxR |
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Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H84O23 |
InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(63)34(60)32(58)26(72-45)21-70-43-35(61)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-46-39(65)40(38(64)41(75-46)42(66)67)74-44-36(62)33(59)31(57)25(19-54)71-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
InChIKey | DSJMQKQXODRBAA-XXWXHSAUSA-N |
Literature Reference Author | A.L.TAPONDJOU,T.MIYAMOTO,M.A.LACAILLE-DUBOIS |
Literature Reference Citation | PHYTOCHEM.,67,2126(2006) |
Literature Reference DOI | 10.1016/j.phytochem.2006.06.034 |
Molecular Weight | 1089.236 g/mol |
Sample ID | 67129 |
Solvent | C5D5N |