Spektraris NMR
CHEMBL259273
Common Name: CHEMBL259273
Synonyms: CHEMBL259273
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-15(2)18-9-8-16(3)6-5-7-17(14-21)12-19(22)13-20(4,23)11-10-18/h6,10-12,15,18-19,21-23H,5,7-9,13-14H2,1-4H3/b11-10+,16-6+,17-12-/t18-,19+,20+/m1/s1
InChIKey: InChIKey=UINPBQUOIXYDBI-LRUCAWBZSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Laphookhieo, S., Baraka, H.N., Yousaf, M., Hebert, A., Bagaley, D., Rainey, F.A., Muralidharan, A., Thomas, S., Shah, G.V. Bioorg Med Chem (2008) 16, 2886-93
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) | 47.5 |
| 2 (CH) | 131.8 |
| 3 (CH) | 137.3 |
| 4 (C) | 72.1 |
| 5 (CH2) | 52.2 |
| 6 (CH) | 64.4 |
| 7 (CH) | 130.2 |
| 8 (C) | 136.2 |
| 9 (CH2) | 38 |
| 10 (CH2) | 22.5 |
| 11 (CH) | 128 |
| 12 (C) | 136.2 |
| 13 (CH2) | 27.9 |
| 14 (CH2) | 32 |
| 15 (CH) | 32.8 |
| 16 (CH3) | 19.2 |
| 17 (CH3) | 20.7 |
| 18 (CH3) | 28.9 |
| 19 (CH2) | 60 |
| 20 (CH3) | 16.1 |
