Spektraris NMR
12-Acetyl-4-n-butanoylalcyopterosin O
Common Name: 12-Acetyl-4-n-butanoylalcyopterosin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-6-7-20(23)24-9-8-17-14(2)10-16-11-21(4,5)12-18(16)19(17)13-25-15(3)22/h10H,6-9,11-13H2,1-5H3
InChIKey: InChIKey=LGTWVFADEJMXNW-UHFFFAOYSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carbone, M., Nunez-Pons, L., Castelluccio, F., Avila, C., Gavagnin, M. J Nat Prod (2009) 72, 1357-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudanes; 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 (CH2) | 46.5 |
| 2 (C) | 142.4 |
| 3 (C) | 135.6 |
| 4 (CH2) | 63.7 |
| 5 (CH2) | 28.6 |
| 6 (C) | 132.9 |
| 7 (C) | 130.3 |
| 8 (CH) | 127.7 |
| 9 (C) | 142.4 |
| 10 (CH2) | 47.7 |
| 11 (C) | 39.7 |
| 12 (CH3) | 29 |
| 13 (CH3) | 29 |
| 14 (CH3) | 21 |
| 15 (CH2) | 62.1 |
| 4a (C) | 172.7 |
| 4b (CH2) | 36.2 |
| 4c (CH2) | 18.4 |
| 4d (CH3) | 13.7 |
| 15a (C) | 170.2 |
| 15b (CH3) | 22.3 |
