![3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER](/api/spectrum/IawVa6LKOxp/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 847T9OIP1oz |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,42+,44-,45+,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | YSCJAYPKBYRXEZ-OBADZGFASA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IawVa6LKOxp |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,42+,44-,45+,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | YSCJAYPKBYRXEZ-OBADZGFASA-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 | 1119.262 g/mol |
| Sample ID | 71780 |
| Solvent | C5D5N |