| SpectraBase Compound ID | 9QSW7DchCh4 |
|---|---|
| InChI | InChI=1S/C47H70O24/c1-16-11-65-47(39(59)29(16)53)23(10-48)28-21-6-7-22-20(27(21)32(56)36(28)71-47)5-4-18-8-19(50)9-26(45(18,22)3)67-42-38(35(25(52)13-63-42)68-41-34(58)31(55)24(51)12-62-41)70-43-37(33(57)30(54)17(2)66-43)69-44-40(60)46(61,14-49)15-64-44/h4,16-17,19-20,22-26,28-31,33-44,48-55,57-61H,5-15H2,1-3H3/t16-,17+,19+,20?,22?,23-,24+,25+,26+,28?,29+,30+,31-,33-,34+,35+,36?,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+/m0/s1 |
| InChIKey | AMHMWCXTGKBDOI-PRQLPUKESA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C47H70O24 |
| Exact Mass | 1018.425703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cYPUV76MZR |
|---|---|
| Name | TRILLENOSIDE-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H70O24 |
| InChI | InChI=1S/C47H70O24/c1-16-11-65-47(39(59)29(16)53)23(10-48)28-21-6-7-22-20(27(21)32(56)36(28)71-47)5-4-18-8-19(50)9-26(45(18,22)3)67-42-38(35(25(52)13-63-42)68-41-34(58)31(55)24(51)12-62-41)70-43-37(33(57)30(54)17(2)66-43)69-44-40(60)46(61,14-49)15-64-44/h4,16-17,19-20,22-26,28-31,33-44,48-55,57-61H,5-15H2,1-3H3/t16-,17+,19+,20?,22?,23-,24+,25+,26+,28?,29+,30+,31-,33-,34+,35+,36?,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+/m0/s1 |
| InChIKey | AMHMWCXTGKBDOI-PRQLPUKESA-N |
| Literature Reference Author | M.ONO,Y.YANAI,T.IKEDA,M.OKAWA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1328(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1328 |
| Molecular Weight | 1019.058 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20457 |