![ILEXOSIDE-XLVII;3-O-BETA-[GLUCURONOPYRANOSYL]-SPATHODIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER](/api/spectrum/KAsQzIbLtvl/structure.png?h=300&w=458 "ILEXOSIDE-XLVII;3-O-BETA-[GLUCURONOPYRANOSYL]-SPATHODIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | JjSpF1sXW3b |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(2)13-15-42(36(54)58-34-29(49)26(46)25(45)20(17-43)55-34)16-14-40(5)19(24(42)32(37)51)7-8-22-38(3)11-10-23(39(4,18-44)21(38)9-12-41(22,40)6)56-35-30(50)27(47)28(48)31(57-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | PVRGMAUCVQOWGZ-MFCBSBRVSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAsQzIbLtvl |
|---|---|
| Name | ILEXOSIDE-XLVII;3-O-BETA-[GLUCURONOPYRANOSYL]-SPATHODIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER |
| Compound Number | 92 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(2)13-15-42(36(54)58-34-29(49)26(46)25(45)20(17-43)55-34)16-14-40(5)19(24(42)32(37)51)7-8-22-38(3)11-10-23(39(4,18-44)21(38)9-12-41(22,40)6)56-35-30(50)27(47)28(48)31(57-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | PVRGMAUCVQOWGZ-MFCBSBRVSA-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 | 826.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1327 |