Spektraris NMR
Allamancin
Common Name: Allamancin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O8/c1-5(16)7-10-15(23-13(7)19)4-3-6-8(11(17)20-2)12(18)22-14(21-10)9(6)15/h3-10,12,14,16,18H,1-2H3/t5?,6-,7+,8?,9-,10?,12+,14?,15+/m1/s1
InChIKey: InChIKey=VLBNONAQDKTJCU-KGEWMJHGSA-N
Formula: C15H18O8
Molecular Weight: 326.299211
Exact Mass: 326.100168
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) | 98.7 |
| 3 (CH) | 91.6 |
| 4 (CH) | 47 |
| 5 (CH) | 43 |
| 6 (CH) | 132.4 |
| 7 (CH) | 138.2 |
| 8 (C) | 105 |
| 9 (CH) | 53.7 |
| 10 (CH) | 83.4 |
| 11 (C) | 172.8 |
| 10a (CH) | 56.1 |
| 10b (CH) | 66.1 |
| 10c (CH3) | 22.3 |
| 10e (C) | 177.4 |
| 11a (CH3) | 52.1 |
