| SpectraBase Compound ID | 9icTloofEDt |
|---|---|
| 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(51)44(3,4)27(45)10-13-47(28,46)7)42(60)66-40-37(59)34(56)32(54)26(64-40)21-61-41-38(35(57)31(53)25(20-50)63-41)65-39-36(58)33(55)30(52)24(19-49)62-39/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 | ASZPBNMFJLYXDL-AILFJWCVSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7I70CKtcLKg |
|---|---|
| Name | Rotundioside-B-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(51)44(3,4)27(45)10-13-47(28,46)7)42(60)66-40-37(59)34(56)32(54)26(64-40)21-61-41-38(35(57)31(53)25(20-50)63-41)65-39-36(58)33(55)30(52)24(19-49)62-39/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 | ASZPBNMFJLYXDL-AILFJWCVSA-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 |