SpectraBase Compound ID | DSv3NLoYx0G |
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InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(52)44(3,4)27(45)10-13-47(28,46)7)42(60)66-41-38(35(58)32(55)26(21-51)63-41)65-40-37(34(57)31(54)25(20-50)62-40)64-39-36(59)33(56)30(53)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,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 | OVJLPKUJTUJJAT-VXAQXTTCSA-N |
Mol Weight | 943.1 g/mol |
Molecular Formula | C48H78O18 |
Exact Mass | 942.518816 g/mol |
SpectraBase Spectrum ID | JGDA0ed9sat |
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Name | Rotundioside-C-3 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C48H78O18 |
InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(52)44(3,4)27(45)10-13-47(28,46)7)42(60)66-41-38(35(58)32(55)26(21-51)63-41)65-40-37(34(57)31(54)25(20-50)62-40)64-39-36(59)33(56)30(53)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,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 | OVJLPKUJTUJJAT-VXAQXTTCSA-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 |