| SpectraBase Compound ID | 2VgBXnI8kDx |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-37(2)14-15-42(36(52)56-35-33(51)31(49)29(47)23(55-35)19-53-34-32(50)30(48)28(46)22(18-43)54-34)21(16-37)20-8-9-25-39(5)12-11-26(44)38(3,4)24(39)10-13-40(25,6)41(20,7)17-27(42)45/h8,21-35,43-51H,9-19H2,1-7H3/t21-,22?,23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,39?,40?,41+,42+/m1/s1 |
| InChIKey | VJSNUARGVQFDIV-DNIOBVSTSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dFxuPpvil4 |
|---|---|
| Name | Rotundioside-A-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-37(2)14-15-42(36(52)56-35-33(51)31(49)29(47)23(55-35)19-53-34-32(50)30(48)28(46)22(18-43)54-34)21(16-37)20-8-9-25-39(5)12-11-26(44)38(3,4)24(39)10-13-40(25,6)41(20,7)17-27(42)45/h8,21-35,43-51H,9-19H2,1-7H3/t21-,22?,23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,39?,40?,41+,42+/m1/s1 |
| InChIKey | VJSNUARGVQFDIV-DNIOBVSTSA-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 |