![SAPONIN-3;3-O-BETA-[GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/EIfTrkZYU2N/structure.png?h=300&w=458 "SAPONIN-3;3-O-BETA-[GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 7mwhV3sRYbp |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22?,23-,24-,25?,26?,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1 |
| InChIKey | QZMAEZWZCGBZFK-VPQYALDZSA-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 | EIfTrkZYU2N |
|---|---|
| Name | 3-BETA-O-[BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLURONIC-ACID]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22?,23-,24-,25?,26?,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1 |
| InChIKey | QZMAEZWZCGBZFK-VPQYALDZSA-N |
| Literature Reference Author | C.PIZZA,Z.ZHONG-LIANG,N.DETOMMASI |
| Literature Reference Citation | J.NAT.PROD.,50,927(1987) |
| Literature Reference DOI | 10.1021/np50053a027 |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBK285 |