Spektraris NMR
CHEMBL223802
Common Name: CHEMBL223802
Synonyms: CHEMBL223802
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-5-7-20(4)13(2)15(11-21)9-16(20)19(12,3)8-6-14-10-17(22)24-18(14)23/h10-12,16,18,23H,5-9H2,1-4H3/t12-,16-,18?,19+,20+/m1/s1
InChIKey: InChIKey=NZIQEPLIKSMSRT-XLBPYVILSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bomm, M.D., Zukerman-Schpector, J., Lopes, L.M.X. Phytochemistry (1999) 50, 455-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Clerodanes; 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) | 29.1 |
| 2 (C) | 136.9 |
| 3 (CH) | 189.1 |
| 4 (C) | 169.9 |
| 5 (C) | 50.9 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 26 |
| 8 (CH) | 37.3 |
| 9 (C) | 37.9 |
| 10 (CH) | 53.8 |
| 11 (CH2) | 33.9 |
| 12 (CH2) | 21.7 |
| 13 (C) | 171.2 |
| 14 (CH) | 117.1 |
| 15 (C) | 173 |
| 16 (CH) | 99.3 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 17.7 |
