![3-O-BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID](/api/spectrum/9rPZpVsSPn9/structure.png?h=300&w=458 "3-O-BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID")
| SpectraBase Compound ID | CZD1YrR31Vu |
|---|---|
| InChI | InChI=1S/C46H72O17/c1-40(2)14-16-45(39(55)56)17-15-43(6)22(23(45)18-40)8-9-26-42(5)12-11-27(41(3,4)25(42)10-13-44(26,43)7)60-37-32(62-36-29(50)28(49)24(48)19-58-36)30(51)31(33(63-37)35(53)54)61-38-34(52)46(57,20-47)21-59-38/h8,23-34,36-38,47-52,57H,9-21H2,1-7H3,(H,53,54)(H,55,56)/t23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33-,34+,36-,37+,38+,42?,43?,44?,45-,46-/m0/s1 |
| InChIKey | WOVNRYOJYHCTKF-YATHHPTOSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C46H72O17 |
| Exact Mass | 896.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rPZpVsSPn9 |
|---|---|
| Name | 3-O-BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O17 |
| InChI | InChI=1S/C46H72O17/c1-40(2)14-16-45(39(55)56)17-15-43(6)22(23(45)18-40)8-9-26-42(5)12-11-27(41(3,4)25(42)10-13-44(26,43)7)60-37-32(62-36-29(50)28(49)24(48)19-58-36)30(51)31(33(63-37)35(53)54)61-38-34(52)46(57,20-47)21-59-38/h8,23-34,36-38,47-52,57H,9-21H2,1-7H3,(H,53,54)(H,55,56)/t23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33-,34+,36-,37+,38+,42?,43?,44?,45-,46-/m0/s1 |
| InChIKey | WOVNRYOJYHCTKF-YATHHPTOSA-N |
| Literature Reference Author | F.R.MELEK,T.MIYASE,S.M.A.KHALIK,M.R.EL-GINDI |
| Literature Reference Citation | PHYTOCHEM.,63,401(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00117-1 |
| Molecular Weight | 897.067 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29741 |