| SpectraBase Compound ID | Ku5E3atDg5y |
|---|---|
| InChI | InChI=1S/C37H56O9/c1-22-12-17-36(31(41)43-9)19-18-33(6)26(30(36)35(22,8)42)10-11-27-32(5)15-14-29(46-25(4)40)37(20-44-23(2)38,21-45-24(3)39)28(32)13-16-34(27,33)7/h10,22,27-30,42H,11-21H2,1-9H3/t22-,27?,28?,29+,30?,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | FBMMTTJGBPWEQH-FPILEQGASA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C37H56O9 |
| Exact Mass | 644.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93TlMlm2jvW |
|---|---|
| Name | METHYL-TRIACETYL-CLETHRATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O9 |
| InChI | InChI=1S/C37H56O9/c1-22-12-17-36(31(41)43-9)19-18-33(6)26(30(36)35(22,8)42)10-11-27-32(5)15-14-29(46-25(4)40)37(20-44-23(2)38,21-45-24(3)39)28(32)13-16-34(27,33)7/h10,22,27-30,42H,11-21H2,1-9H3/t22-,27?,28?,29+,30?,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | FBMMTTJGBPWEQH-FPILEQGASA-N |
| Literature Reference Author | J.SAKAKIBARA,T.KAIYA,H.FUKUDA |
| Literature Reference Citation | PHYTOCHEM.,23,627(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80395-7 |
| Molecular Weight | 644.846 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK380 |