| SpectraBase Compound ID | 3svb27rMQ4s |
|---|---|
| InChI | InChI=1S/C25H38O13/c1-11(2)6-18(29)38-23-19-15(7-17(25(19,5)32)35-12(3)27)14(9-33-23)10-34-24-22(36-13(4)28)21(31)20(30)16(8-26)37-24/h9,11,15-17,19-24,26,30-32H,6-8,10H2,1-5H3/t15?,16-,17-,19?,20-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey | BCTQMTZTWOPJFZ-YKKGCKQSSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C25H38O13 |
| Exact Mass | 546.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9u1xIizFQVb |
|---|---|
| Name | VIBRUTINOSIDE-I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H38O13 |
| InChI | InChI=1S/C25H38O13/c1-11(2)6-18(29)38-23-19-15(7-17(25(19,5)32)35-12(3)27)14(9-33-23)10-34-24-22(36-13(4)28)21(31)20(30)16(8-26)37-24/h9,11,15-17,19-24,26,30-32H,6-8,10H2,1-5H3/t15?,16-,17-,19?,20-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey | BCTQMTZTWOPJFZ-YKKGCKQSSA-N |
| Literature Reference Author | L.TOMASSINI,M.F.COMETA,S.FODDAI,M.NICOLETTI |
| Literature Reference Citation | PHYTOCHEM.,38,423(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00618-4 |
| Molecular Weight | 546.569 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS4740 |