Spektraris NMR
Assufulvenal
Common Name: Assufulvenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O/c1-18(2)21-9-7-19(3)25-15-23(27(17-31)26(25)14-21)13-22-11-12-30-20(4)8-10-24(16-28(22)30)29(30,5)6/h13,15,17,19-21,24H,1,7-12,14,16H2,2-6H3/b23-13+/t19-,20-,21-,24-,30+/m1/s1
InChIKey: InChIKey=MEIMTLGZEJLCSF-ZHLJVWIKSA-N
Formula: C30H40O1
Molecular Weight: 416.639112
Exact Mass: 416.307916
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Achenbach, H., Benirschke, G., Lange, J. J Nat Prod (1996) 59, 93-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 |
|---|---|
| 1 (C) | 152.9 |
| 2 (CH) | 121.7 |
| 3 (C) | 136.5 |
| 4 (C) | 127.3 |
| 5 (C) | 162.1 |
| 6 (CH2) | 32.4 |
| 7 (CH) | 47.8 |
| 8 (CH2) | 37.4 |
| 9 (CH2) | 37.7 |
| 10 (CH) | 34.3 |
| 11 (C) | 150.8 |
| 12 (CH2) | 109 |
| 13 (CH3) | 20.4 |
| 14 (CH3) | 20.3 |
| 15 (CH) | 185.6 |
| 1' (C) | 67 |
| 2' (CH2) | 26.5 |
| 3' (CH2) | 39.4 |
| 4' (C) | 132.9 |
| 5' (C) | 170.9 |
| 6' (CH2) | 29.2 |
| 7' (CH) | 48 |
| 8' (CH2) | 27.3 |
| 9' (CH2) | 28.1 |
| 10' (CH) | 36.3 |
| 11' (C) | 42 |
| 12' (CH3) | 26.1 |
| 13' (CH3) | 19.5 |
| 14' (CH3) | 18.2 |
| 15' (CH) | 135.2 |
