Spektraris NMR
Caribenol A
Common Name: Caribenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O3/c1-10-7-13-8-12(3)14-6-5-11(2)15-16(14)19(21,22-17(15)20)18(13,4)9-10/h7,11-14,21H,5-6,8-9H2,1-4H3/t11-,12-,13-,14+,18-,19+/m0/s1
InChIKey: InChIKey=JHCPXISTONUFKB-UUBMZHIOSA-N
Formula: C19H26O3
Molecular Weight: 302.408656
Exact Mass: 302.188195
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Wei, X., Rodriguez, I.I., Rodriguez, A.D., Barnes, C.L. J Org Chem (2007) 72, 7386-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Caribenanes; 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) | 30.9 |
| 2 (CH2) | 39.3 |
| 3 (CH) | 53.7 |
| 4 (C) | 49.3 |
| 5 (C) | 109.3 |
| 6 (C) | 163.1 |
| 7 (C) | 132.9 |
| 8 (CH) | 27.9 |
| 9 (CH2) | 31.9 |
| 10 (CH2) | 28.5 |
| 11 (CH) | 43.1 |
| 12 (CH) | 127.1 |
| 13 (C) | 137.6 |
| 14 (CH2) | 47 |
| 15 (CH3) | 16.3 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 18.5 |
| 18 (C) | 169.2 |
| 19 (CH3) | 25.4 |
