SpectraBase Compound ID | 6IBM4cMj6ll |
---|---|
InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)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)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/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 | XYCUSPPPIYQSLD-INWUODIGSA-N |
Mol Weight | 1089.2 g/mol |
Molecular Formula | C53H84O23 |
Exact Mass | 1088.540339 g/mol |
SpectraBase Spectrum ID | C3pn40kunJQ |
---|---|
Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
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(64)34(61)31(58)25(20-55)71-45)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)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/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 | XYCUSPPPIYQSLD-INWUODIGSA-N |
Literature Reference Author | L.BI,X.TIAN,F.DOU,L.HONG,H.TANG,S.WANG |
Literature Reference Citation | FITOTERAPIA,83,234(2012) |
Literature Reference DOI | 10.1016/j.fitote.2011.11.002 |
Molecular Weight | 1089.236 g/mol |
Sample ID | 71779 |
Solvent | C5D5N |