| SpectraBase Compound ID | 9Lw7T40Tyu |
|---|---|
| InChI | InChI=1S/C30H38O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,13,17-27,30-36H,1,3,8-11H2,2H3/t13-,17+,18?,19+,20-,21-,22+,23-,24-,25+,26-,27-,30-/m0/s1 |
| InChIKey | ADEUTDBYJNLORF-MVWURLONSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C30H38O12 |
| Exact Mass | 590.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 721pyq2fDJC |
|---|---|
| Name | IXERISOSIDE-B |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O12 |
| InChI | InChI=1S/C30H38O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,13,17-27,30-36H,1,3,8-11H2,2H3/t13-,17+,18?,19+,20-,21-,22+,23-,24-,25+,26-,27-,30-/m0/s1 |
| InChIKey | ADEUTDBYJNLORF-MVWURLONSA-N |
| Literature Reference Author | T.WARASHINA,M.ISHINO,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,29,3217(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80188-M |
| Molecular Weight | 590.625 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6848 |