Spektraris NMR
Phyllaemblic acid C
Common Name: Phyllaemblic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O8/c16-5-9-6-22-15(4-11(9)18)14(21,7-17)10-2-1-8(13(19)20)3-12(10)23-15/h8-12,16-18,21H,1-7H2,(H,19,20)/t8-,9+,10-,11-,12+,14-,15-/m0/s1
InChIKey: InChIKey=VUTLIYHSSWEGDL-KBIHYEQISA-N
Formula: C15H24O8
Molecular Weight: 332.346856
Exact Mass: 332.147118
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Y.J., Tanaka, T., Iwamoto, Y., Yang, C.R., Kouno, I. J Nat Prod (2001) 64, 870-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 21.5 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 38.3 |
| 4 (CH2) | 30.7 |
| 5 (CH) | 75.3 |
| 6 (CH) | 43.9 |
| 7 (C) | 85.6 |
| 8 (C) | 108.9 |
| 9 (CH2) | 37.6 |
| 10 (CH) | 66.6 |
| 11 (CH) | 43.4 |
| 12 (CH2) | 59.8 |
| 13 (CH2) | 62.1 |
| 14 (CH2) | 65.7 |
| 15 (C) | 180.2 |
