Spektraris NMR
(14R)-ent-Isocopal-13(16)-en-15-al
Common Name: (14R)-ent-Isocopal-13(16)-en-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-14-7-8-17-19(4,15(14)13-21)12-9-16-18(2,3)10-6-11-20(16,17)5/h13,15-17H,1,6-12H2,2-5H3/t15-,16+,17+,19+,20+/m1/s1
InChIKey: InChIKey=SIVLMXBMFOEHLX-ORZNMBHWSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gavagnin, M., Ungur, N., Castelluccio, F., Muniain, C., Cimino, G. J Nat Prod (1999) 62, 269-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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 (CH2) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 41.2 |
| 8 (C) | 39.5 |
| 9 (CH) | 58.7 |
| 10 (C) | 37.9 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 36.6 |
| 13 (C) | 145 |
| 14 (CH) | 68.2 |
| 15 (CH) | 205.8 |
| 16 (CH2) | 108.9 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 17 |
