Spektraris NMR
CHEMBL481833
Common Name: CHEMBL481833
Synonyms: CHEMBL481833
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-6-7-17-16(5-4-10-20(17,3)18(21)22)19(14,2)11-8-15-9-12-23-13-15/h9,12-14H,4-8,10-11H2,1-3H3,(H,21,22)/t14-,19+,20+/m1/s1
InChIKey: InChIKey=QSCGVVYGWUHJIU-UAOJZALGSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanlayavattanakul, M., Ruangrungsi, N., Watanabe, T., Kawahata, M., Therrien, B., Yamaguchi, K., Ishikawa, T. J Nat Prod (2005) 68, 7-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 25.1 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 35.4 |
| 4 (C) | 47.4 |
| 5 (C) | 131 |
| 6 (CH2) | 25.9 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 33.3 |
| 9 (C) | 40.9 |
| 10 (C) | 136 |
| 11 (CH2) | 36.5 |
| 12 (CH2) | 19.5 |
| 13 (C) | 125.8 |
| 14 (CH) | 111 |
| 15 (CH) | 142.6 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 16 |
| 18 (C) | 183.1 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 20.8 |
