Spektraris NMR
Phyllaemblic acid B
Common Name: Phyllaemblic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O9/c16-4-8-5-23-15(3-10(8)19)14(22,6-17)12-9(18)1-7(13(20)21)2-11(12)24-15/h7-12,16-19,22H,1-6H2,(H,20,21)/t7-,8+,9+,10-,11+,12-,14-,15-/m0/s1
InChIKey: InChIKey=YCATYHRROQAZDN-SFLVWTQSSA-N
Formula: C15H24O9
Molecular Weight: 348.346261
Exact Mass: 348.142032
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 (CH) | 66.7 |
| 2 (CH2) | 34.8 |
| 3 (CH) | 37.4 |
| 4 (CH2) | 29.9 |
| 5 (CH) | 75.8 |
| 6 (CH) | 53 |
| 7 (C) | 85.5 |
| 8 (C) | 108.6 |
| 9 (CH2) | 36.4 |
| 10 (CH) | 66.3 |
| 11 (CH) | 43.3 |
| 12 (CH2) | 59.6 |
| 13 (CH2) | 62 |
| 14 (CH2) | 65.9 |
| 15 (C) | 179.7 |
