| SpectraBase Compound ID | 84dGjeBE4dG |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-29(49)26(46)25(45)21(17-43)55-34)16-15-39(4)20(32(42)41(19,6)54)7-8-23-37(2)12-11-24(38(3,18-44)22(37)10-13-40(23,39)5)56-35-30(50)27(47)28(48)31(57-35)33(51)52/h7,19,21-32,34-35,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,34+,35-,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | DROUAZJCVDKKRH-BNFNWNNASA-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 | B2oTHnKf4lX |
|---|---|
| Name | ILEXOSIDE-XXXIX;3-O-BETA-D-GLUCURONOPYRANOSYL-ROTUNDIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-29(49)26(46)25(45)21(17-43)55-34)16-15-39(4)20(32(42)41(19,6)54)7-8-23-37(2)12-11-24(38(3,18-44)22(37)10-13-40(23,39)5)56-35-30(50)27(47)28(48)31(57-35)33(51)52/h7,19,21-32,34-35,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,34+,35-,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | DROUAZJCVDKKRH-BNFNWNNASA-N |
| Literature Reference Author | K.AMIMOTO,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,33,1475(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85114-7 |
| Molecular Weight | 826.976 g/mol |
| Solvent | PYRIDINE-D5 |