| SpectraBase Compound ID | 2WpQ1M1Z2kC |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20?,21-,22?,23?,24+,25-,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| InChIKey | VUBCDVLKKVVOTB-BKMHUWGOSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iiat98Bp9nD |
|---|---|
| Name | ROTUNDIOSIDE-A-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20?,21-,22?,23?,24+,25-,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| InChIKey | VUBCDVLKKVVOTB-BKMHUWGOSA-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 | 634.851 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK596 |