| SpectraBase Compound ID | AH3nplWcgRb |
|---|---|
| InChI | InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1 |
| InChIKey | UJNCWORGHSATHA-XWSAIMBSSA-N |
| Mol Weight | 722.6 g/mol |
| Molecular Formula | C35H30O17 |
| Exact Mass | 722.148299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1nI2qocxqD |
|---|---|
| Name | THONNINGIANIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H30O17 |
| InChI | InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1 |
| InChIKey | UJNCWORGHSATHA-XWSAIMBSSA-N |
| Literature Reference Author | I.I.OHTANI,N.GOTOH,J.TANAKA,T.HIGA,M.A.GYAMFI,Y.ANIYA |
| Literature Reference Citation | J.NAT.PROD.,63,676(2000) |
| Literature Reference DOI | 10.1021/np990396w |
| Molecular Weight | 722.613 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS25548 |