Spektraris NMR
Allamandicin
Common Name: Allamandicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3/t6?,7-,9+,10-,11?,14?,15+/m1/s1
InChIKey: InChIKey=RMYLCIMGXGYTTK-OWTCTZJSSA-N
Formula: C15H16O7
Molecular Weight: 308.283925
Exact Mass: 308.089603
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Abe, F., Mori, T., Yamauchi, T. Chem Pharm Bull (1984) 32, 2947-56
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 102.3 |
| 3 (CH) | 153.3 |
| 4 (C) | 109.2 |
| 5 (CH) | 38.5 |
| 6 (CH) | 128.2 |
| 7 (CH) | 140.3 |
| 8 (C) | 107.3 |
| 9 (CH) | 54 |
| 10 (CH) | 84.2 |
| 11 (C) | 167 |
| 10a (CH) | 56.1 |
| 10b (CH) | 66.2 |
| 10c (CH3) | 22.3 |
| 10d (C) | 177.4 |
| 11a (CH3) | 51.6 |
