![3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/8a76UcgrHIf/structure.png?h=300&w=458 "3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | Lbx6Lv32Ka5 |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | ITPLQPXCONKMAX-KVUCXZAYSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8a76UcgrHIf |
|---|---|
| Name | 3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | ITPLQPXCONKMAX-KVUCXZAYSA-N |
| Literature Reference Author | M.JUNKUSZEW,W.OLESZEK,M.JURZYSTA,S.PIANCENTE,C.PIZZA |
| Literature Reference Citation | PHYTOCHEM.,49,195(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00904-7 |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU66 |