| SpectraBase Compound ID | JjtQc6nFHuL |
|---|---|
| InChI | InChI=1S/C36H58O12S/c1-31(2)14-15-36(30(42)47-29-28(41)27(40)26(39)21(18-37)46-29)20(16-31)19-8-9-23-33(5)12-11-25(48-49(43,44)45)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,43,44,45)/p-1/t20?,21-,22?,23?,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| InChIKey | WEMCDBGRMUDASK-YZSQPZFNSA-M |
| Mol Weight | 713.9 g/mol |
| Molecular Formula | C36H57O12S |
| Exact Mass | 713.357073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kw2itQDn9G8 |
|---|---|
| Name | ROTUNDIOSIDE-A-SULFATE-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H57O12S |
| InChI | InChI=1S/C36H58O12S/c1-31(2)14-15-36(30(42)47-29-28(41)27(40)26(39)21(18-37)46-29)20(16-31)19-8-9-23-33(5)12-11-25(48-49(43,44)45)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,43,44,45)/p-1/t20?,21-,22?,23?,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| InChIKey | WEMCDBGRMUDASK-YZSQPZFNSA-M |
| Literature Reference Author | E.AKAI,T.TAKEDO,Y.KOBAYASHI,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,3715(1985) |
| Literature Reference DOI | 10.1248/cpb.33.3715 |
| Molecular Weight | 713.901 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK602 |