SpectraBase Compound ID | 9FwfHYje9lR |
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InChI | InChI=1S/C48H78O19/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-28(51)44(3,4)26(45)10-13-46(27,6)47(21,7)17-29(48)52)42(61)67-40-37(60)34(57)32(55)25(65-40)20-62-41-38(35(58)31(54)24(19-50)64-41)66-39-36(59)33(56)30(53)23(18-49)63-39/h8,22-41,49-60H,9-20H2,1-7H3/t22-,23+,24?,25?,26?,27?,28?,29-,30?,31?,32?,33-,34?,35?,36-,37?,38?,39-,40?,41?,45?,46?,47+,48+/m1/s1 |
InChIKey | DXMUZPVJELBZDL-DRQQHEKOSA-N |
Mol Weight | 959.1 g/mol |
Molecular Formula | C48H78O19 |
Exact Mass | 958.51373 g/mol |
SpectraBase Spectrum ID | KZ3So27bzRR |
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Name | Rotundioside-A-3 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C48H78O19 |
InChI | InChI=1S/C48H78O19/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-28(51)44(3,4)26(45)10-13-46(27,6)47(21,7)17-29(48)52)42(61)67-40-37(60)34(57)32(55)25(65-40)20-62-41-38(35(58)31(54)24(19-50)64-41)66-39-36(59)33(56)30(53)23(18-49)63-39/h8,22-41,49-60H,9-20H2,1-7H3/t22-,23+,24?,25?,26?,27?,28?,29-,30?,31?,32?,33-,34?,35?,36-,37?,38?,39-,40?,41?,45?,46?,47+,48+/m1/s1 |
InChIKey | DXMUZPVJELBZDL-DRQQHEKOSA-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 |