Spektraris NMR
CHEMBL502677
Common Name: CHEMBL502677
Synonyms: CHEMBL502677
CAS Registry Number:
InChI: InChI=1S/C22H34O2/c1-8-15(2)9-11-19-16(3)10-12-20-21(5,6)13-18(24-17(4)23)14-22(19,20)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9-/t18-,19-,20-,22+/m1/s1
InChIKey: InChIKey=FURHYCBPWRCHKE-AVUJTOBSSA-N
Formula: C22H34O2
Molecular Weight: 330.504985
Exact Mass: 330.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 44.27 |
| 2 (CH) | 69.27 |
| 3 (CH2) | 46.82 |
| 4 (C) | 34.96 |
| 5 (CH) | 54.87 |
| 6 (CH2) | 23.71 |
| 7 (CH2) | 37.79 |
| 8 (C) | 147.37 |
| 9 (CH) | 57.17 |
| 10 (C) | 40.88 |
| 11 (CH2) | 22.26 |
| 12 (CH) | 131.12 |
| 13 (C) | 131.85 |
| 14 (CH) | 133.87 |
| 15 (CH2) | 113.34 |
| 16 (CH3) | 19.68 |
| 17 (CH2) | 108.74 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22.51 |
| 20 (CH3) | 15.19 |
| 2a (C) | 170.61 |
| 2b (CH3) | 21.5 |
