Spektraris NMR
CHEMBL399105
Common Name: CHEMBL399105
Synonyms: CHEMBL399105
CAS Registry Number:
InChI: InChI=1S/C23H34O4/c1-16(2)9-7-12-20(15-27-19(5)24)21-14-13-17(3)10-8-11-18(4)22(21)23(25)26-6/h9-10,12,21-22H,4,7-8,11,13-15H2,1-3,5-6H3/b17-10+,20-12-/t21-,22+/m1/s1
InChIKey: InChIKey=ISIHCFKJFHDLCQ-JPKHOPEVSA-N
Formula: C23H34O4
Molecular Weight: 374.514531
Exact Mass: 374.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andrianasolo, E.H., Haramaty, L., Degenhardt, K., Mathew, R., White, E., Lutz, R., Falkowski, P. J Nat Prod (2007) 70, 1551-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 144.2 |
| 2 (CH) | 61.7 |
| 3 (CH) | 39.9 |
| 4 (CH2) | 32.5 |
| 5 (CH2) | 39.9 |
| 6 (C) | 136 |
| 7 (CH) | 124.6 |
| 8 (CH2) | 28.9 |
| 9 (CH2) | 32.6 |
| 10 (C) | 139.5 |
| 11 (CH) | 130 |
| 12 (CH2) | 28 |
| 13 (CH) | 121 |
| 14 (C) | 133.5 |
| 15 (CH3) | 18 |
| 16 (CH3) | 25.5 |
| 17 (CH2) | 66.5 |
| 18 (C) | 172.7 |
| 19 (CH2) | 120.2 |
| 20 (CH3) | 18.3 |
| 17a (C) | 170.8 |
| 17b (CH3) | 21.4 |
| 18a (CH3) | 51.4 |
