| SpectraBase Compound ID | 2QIcQBekgXb |
|---|---|
| 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-FJFBNQHVSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bsr4zSCnSHi |
|---|---|
| Name | ROTUNDIOSIDE-A-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-FJFBNQHVSA-N |
| Literature Reference Author | E.AKAI,T.TAKEDO,Y.KOBAYASHI,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,3715(1985) |
| Literature Reference DOI | 10.1248/cpb.33.3715 |
| Molecular Weight | 959.136 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK599 |