Spektraris NMR
CHEMBL265361
Common Name: CHEMBL265361
Synonyms: CHEMBL265361
CAS Registry Number:
InChI: InChI=1S/C23H39NO3/c1-7-24-22(25)27-21-15-19(5)10-8-9-18(4)11-12-20(17(2)3)13-14-23(6,26)16-21/h9,13-15,17,20-21,26H,7-8,10-12,16H2,1-6H3,(H,24,25)/b14-13+,18-9+,19-15+/t20-,21+,23-/m1/s1
InChIKey: InChIKey=UFRQKPKMUJPYAC-SPWMCXBASA-N
Formula: C23H39N1O3
Molecular Weight: 377.561573
Exact Mass: 377.292994
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Laphookhieo, S., Yousaf, M., Prestridge, J.A., Shirode, A.B., Wali, V.B., Sylvester, P.W. J Nat Prod (2008) 71, 117-22
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) | 46.4 |
| 2 (CH) | 127.9 |
| 3 (CH) | 137.4 |
| 4 (C) | 72.4 |
| 5 (CH2) | 50.9 |
| 6 (CH) | 69.1 |
| 7 (CH) | 127.1 |
| 8 (C) | 139.1 |
| 9 (CH2) | 39 |
| 10 (CH2) | 23.3 |
| 11 (CH) | 124.5 |
| 12 (C) | 133.5 |
| 13 (CH2) | 36.7 |
| 14 (CH2) | 27.9 |
| 15 (CH) | 33 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 29.8 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 14.9 |
| 6a (C) | 155.8 |
| 6b (CH2) | 36 |
| 6c (CH3) | 15.3 |
