![ILEXOSIDE-XLIX;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/KlFzwnguKnz/structure.png?h=300&w=458 "ILEXOSIDE-XLIX;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 5ot2I1nes9O |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-35(59)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)/t22?,23-,24-,25?,26?,27+,28+,29-,30+,31+,32+,33+,34-,35-,36+,37-,39+,40+,41-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | KVCOJLFXXKAKKU-GWRPXZADSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlFzwnguKnz |
|---|---|
| Name | ILEXOSIDE-XLIX;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 94 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-35(59)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)/t22?,23-,24-,25?,26?,27+,28+,29-,30+,31+,32+,33+,34-,35-,36+,37-,39+,40+,41-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | KVCOJLFXXKAKKU-GWRPXZADSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1143 |