| SpectraBase Compound ID | 98IvpAQJ30J |
|---|---|
| InChI | InChI=1S/C42H68O17S/c1-37(2)14-15-42(36(51)58-35-33(50)31(48)29(46)23(57-35)19-55-34-32(49)30(47)28(45)22(18-43)56-34)21(16-37)20-8-9-25-39(5)12-11-27(59-60(52,53)54)38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)44/h8,21-35,43-50H,9-19H2,1-7H3,(H,52,53,54)/p-1/t21?,22-,23-,24?,25?,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42-/m1/s1 |
| InChIKey | RFJMGYBJPIFCLM-BCBISWLASA-M |
| Mol Weight | 876.0 g/mol |
| Molecular Formula | C42H67O17S |
| Exact Mass | 875.409897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jm1z8zVxWw |
|---|---|
| Name | ROTUNDIOSIDE-A-SULFATE-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67O17S |
| InChI | InChI=1S/C42H68O17S/c1-37(2)14-15-42(36(51)58-35-33(50)31(48)29(46)23(57-35)19-55-34-32(49)30(47)28(45)22(18-43)56-34)21(16-37)20-8-9-25-39(5)12-11-27(59-60(52,53)54)38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)44/h8,21-35,43-50H,9-19H2,1-7H3,(H,52,53,54)/p-1/t21?,22-,23-,24?,25?,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42-/m1/s1 |
| InChIKey | RFJMGYBJPIFCLM-BCBISWLASA-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 | 876.044 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK603 |