Spektraris NMR
4-Propanoyl HT-2
Common Name: 4-Propanoyl HT-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3/t16-,17+,20+,21+,22+,23+,24+,25-/m0/s1
InChIKey: InChIKey=HHSVPRXLNYVHLR-GTTPHZHMSA-N
Formula: C25H36O9
Molecular Weight: 480.548909
Exact Mass: 480.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Corley, D.G., Rottinghaus, G.E., Tracy, J.K., Tempesta, M.S. Tetrahedron Lett (1986) 27, 4133-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Trichothecanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 78.7 |
| 3 (CH) | 78.5 |
| 4 (CH) | 84.5 |
| 5 (C) | 48.4 |
| 6 (C) | 42.9 |
| 7 (CH) | 67.3 |
| 8 (CH) | 123.7 |
| 9 (C) | 136.3 |
| 10 (CH) | 68 |
| 11 (CH2) | 27.6 |
| 12 (C) | 64.3 |
| 13 (CH2) | 47.2 |
| 14 (CH3) | 6.9 |
| 15 (CH2) | 64.6 |
| 16 (CH3) | 20.4 |
| 4a (C) | 176.2 |
| 4b (CH2) | 27.8 |
| 4c (CH3) | 9 |
| 10a (C) | 172.7 |
| 10b (CH2) | 43.6 |
| 10c (CH) | 25.8 |
| 10d (CH3) | 22.4 |
| 10ca (CH3) | 22.4 |
| 15a (C) | 170.1 |
| 15b (CH3) | 21.1 |
