| SpectraBase Compound ID | 2SC1yudSt9F |
|---|---|
| InChI | InChI=1S/C30H46O9/c1-16-26(33)23(36-6)15-25(37-16)39-20-9-10-27(4)19(13-20)7-8-21-22(27)14-24(38-18(3)32)28(5)29(34,17(2)31)11-12-30(21,28)35/h7,16,20-26,33-35H,8-15H2,1-6H3/t16-,20+,21?,22-,23-,24-,25+,26-,27+,28-,29-,30+/m1/s1 |
| InChIKey | YNKWWTBUHYWDQK-SZQRBEEHSA-N |
| Mol Weight | 550.7 g/mol |
| Molecular Formula | C30H46O9 |
| Exact Mass | 550.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YbiUvb2Urg |
|---|---|
| Name | 12-O-ACETYLPERGULARIN-3-O-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O9 |
| InChI | InChI=1S/C30H46O9/c1-16-26(33)23(36-6)15-25(37-16)39-20-9-10-27(4)19(13-20)7-8-21-22(27)14-24(38-18(3)32)28(5)29(34,17(2)31)11-12-30(21,28)35/h7,16,20-26,33-35H,8-15H2,1-6H3/t16-,20+,21?,22-,23-,24-,25+,26-,27+,28-,29-,30+/m1/s1 |
| InChIKey | YNKWWTBUHYWDQK-SZQRBEEHSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 550.690 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU872 |