| SpectraBase Compound ID | H5GvUzXvRi4 |
|---|---|
| InChI | InChI=1S/C36H58O11S/c1-31(2)14-16-36(30(41)46-29-28(40)27(39)26(38)22(19-37)45-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(47-48(42,43)44)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-40H,9-19H2,1-7H3,(H,42,43,44)/p-1/t21?,22-,23?,24?,25+,26-,27+,28-,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | IGHHZARDNLOPKG-SKEABOEQSA-M |
| Mol Weight | 697.9 g/mol |
| Molecular Formula | C36H57O11S |
| Exact Mass | 697.362159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8weFsTNHVy1 |
|---|---|
| Name | ROTUNDIOSIDE-B-SULFATE-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H57O11S |
| InChI | InChI=1S/C36H58O11S/c1-31(2)14-16-36(30(41)46-29-28(40)27(39)26(38)22(19-37)45-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(47-48(42,43)44)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-40H,9-19H2,1-7H3,(H,42,43,44)/p-1/t21?,22-,23?,24?,25+,26-,27+,28-,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | IGHHZARDNLOPKG-SKEABOEQSA-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 | 697.902 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK604 |