Spektraris NMR
Polyanthellin A
Common Name: Polyanthellin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3/t15-,16+,17-,18-,19+,20+,21-,22-/m0/s1
InChIKey: InChIKey=XBXWRLRZRQRZHE-QJDFYSGISA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D., Ortega-Barria, E., Capson, T.L. J Nat Prod (2003) 66, 357-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 41.6 |
| 2 (CH) | 93.7 |
| 3 (C) | 75.5 |
| 4 (CH2) | 36.2 |
| 5 (CH2) | 18.1 |
| 6 (CH2) | 39.6 |
| 7 (C) | 74.3 |
| 8 (CH2) | 47.5 |
| 9 (CH) | 77.2 |
| 10 (CH) | 51 |
| 11 (C) | 83.1 |
| 12 (CH2) | 29.7 |
| 13 (CH2) | 17.5 |
| 14 (CH) | 42.3 |
| 15 (CH3) | 27.5 |
| 16 (CH3) | 35.6 |
| 17 (CH3) | 24 |
| 18 (CH) | 29.6 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 21.7 |
| 11a (C) | 170.3 |
| 11b (CH3) | 22.5 |
