Spektraris NMR
Bipinnatolide I
Common Name: Bipinnatolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10(2)15-9-17-16-8-14(25-19(16)23)6-11(3)5-13(21)7-12(4)20(24,26-17)18(15)22/h5,8,12,14-15,17-18,22,24H,1,6-7,9H2,2-4H3/b11-5-/t12-,14-,15-,17+,18-,20+/m0/s1
InChIKey: InChIKey=RLSAJLXIRCIICU-LVSFEKPUSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 47.3 |
| 2 (CH) | 72.6 |
| 3 (C) | 96.8 |
| 4 (CH) | 43.8 |
| 5 (CH2) | 46.8 |
| 6 (C) | 200.3 |
| 7 (CH) | 129.8 |
| 8 (C) | 147.1 |
| 9 (CH2) | 35 |
| 10 (CH) | 80.3 |
| 11 (CH) | 154.9 |
| 12 (C) | 134.2 |
| 13 (CH) | 63.9 |
| 14 (CH2) | 34.6 |
| 15 (C) | 143.6 |
| 16 (CH2) | 115 |
| 17 (CH3) | 18.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 29.7 |
| 20 (C) | 172.4 |
