Spektraris NMR
Bipinnatolide J
Common Name: Bipinnatolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-10(2)16-9-17-15-8-14(25-19(15)23)6-11(3)5-13(21)7-12(4)18(22)20(16,24)26-17/h5,8,12,14,16-17,24H,1,6-7,9H2,2-4H3/b11-5-/t12-,14-,16-,17+,20-/m0/s1
InChIKey: InChIKey=LJQPUSXPSUZLOQ-UBOZWUAPSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Huang, S.D. J Nat Prod (1999) 62, 1228-37
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) | 55.6 |
| 2 (C) | 107.3 |
| 3 (C) | 210.3 |
| 4 (CH) | 36.5 |
| 5 (CH2) | 48.3 |
| 6 (C) | 200.1 |
| 7 (CH) | 127 |
| 8 (C) | 148.9 |
| 9 (CH2) | 34.2 |
| 10 (CH) | 79.3 |
| 11 (CH) | 153.1 |
| 12 (C) | 129.3 |
| 13 (CH) | 70 |
| 14 (CH2) | 33.8 |
| 15 (C) | 139.6 |
| 16 (CH2) | 112.3 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 29.4 |
| 20 (C) | 171.7 |
