Spektraris NMR
2-O-Methylbipinnatin J
Common Name: 2-O-Methylbipinnatin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O4/c1-12(2)18-7-6-15-11-17(25-21(15)22)9-13(3)8-16-10-14(4)19(24-16)20(18)23-5/h8,10-11,17-18,20H,1,6-7,9H2,2-5H3/b13-8-/t17-,18-,20-/m0/s1
InChIKey: InChIKey=ODVCRTZCBFWAOL-SBZAKVGDSA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Shi, Y.P. J Org Chem (2000) 65, 3192-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 48.5 |
| 2 (CH) | 74.5 |
| 3 (C) | 147.3 |
| 4 (C) | 122.4 |
| 5 (CH) | 113.5 |
| 6 (C) | 152 |
| 7 (CH) | 117.3 |
| 8 (C) | 129.4 |
| 9 (CH2) | 39.7 |
| 10 (CH) | 78.6 |
| 11 (CH) | 151.4 |
| 12 (C) | 132.8 |
| 13 (CH2) | 19.5 |
| 14 (CH2) | 30.3 |
| 15 (C) | 143 |
| 16 (CH2) | 115.4 |
| 17 (CH3) | 18.1 |
| 18 (CH3) | 9.8 |
| 19 (CH3) | 25.9 |
| 20 (C) | 174.2 |
| 2a (CH3) | 55.8 |
