| SpectraBase Compound ID | 32IX64pI6U2 |
|---|---|
| InChI | InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22?,23?,24?,25?,26?,27?,28?,29?,33?,34+,35?,36-/m1/s1 |
| InChIKey | KMKFOIBUKYMVRJ-PVDRQJTBSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C36H58O8 |
| Exact Mass | 618.413169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xsF22F63KS |
|---|---|
| Name | Rotundioside-B-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H58O8 |
| InChI | InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22?,23?,24?,25?,26?,27?,28?,29?,33?,34+,35?,36-/m1/s1 |
| InChIKey | KMKFOIBUKYMVRJ-PVDRQJTBSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 3715 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |