| SpectraBase Compound ID | 38rjvaqbh6u |
|---|---|
| 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-MHSIRMRDSA-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 | E9UNQhsZGwh |
|---|---|
| Name | Methyl-triacetyl-clethrate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-MHSIRMRDSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 23, 627 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |