| SpectraBase Compound ID | Es2e6Mu5Ri9 |
|---|---|
| InChI | InChI=1S/C48H80O17/c1-22-31(53)34(56)37(59)40(60-22)64-39-36(58)33(55)26(20-50)62-42(39)65-38-35(57)32(54)25(19-49)61-41(38)63-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-51)29(52)18-47(23,46)8/h9,22,24-42,49-59H,10-21H2,1-8H3/t22?,24-,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47+,48+/m1/s1 |
| InChIKey | QUJVHPNUQWPHGN-RHJVJCBOSA-N |
| Mol Weight | 929.2 g/mol |
| Molecular Formula | C48H80O17 |
| Exact Mass | 928.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ltv1P0jayQf |
|---|---|
| Name | Rotundioside-D |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H80O17 |
| InChI | InChI=1S/C48H80O17/c1-22-31(53)34(56)37(59)40(60-22)64-39-36(58)33(55)26(20-50)62-42(39)65-38-35(57)32(54)25(19-49)61-41(38)63-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-51)29(52)18-47(23,46)8/h9,22,24-42,49-59H,10-21H2,1-8H3/t22?,24-,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47+,48+/m1/s1 |
| InChIKey | QUJVHPNUQWPHGN-RHJVJCBOSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 4685 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |