Spektraris NMR
CHEMBL259272
Common Name: CHEMBL259272
Synonyms: CHEMBL259272
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(2)17-8-6-15(3)7-9-19(22)16(4)12-18(21)13-20(5,23)11-10-17/h7,10-12,14,17-19,21-23H,6,8-9,13H2,1-5H3/b11-10+,15-7+,16-12+/t17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=VQLARDMEWPYPDR-YUEOBFRXSA-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) | 46.5 |
| 2 (CH) | 131.8 |
| 3 (CH) | 136.3 |
| 4 (C) | 71.5 |
| 5 (CH2) | 52.2 |
| 6 (CH) | 64.4 |
| 7 (CH) | 126.4 |
| 8 (C) | 133.2 |
| 9 (CH) | 70.9 |
| 10 (CH2) | 38.1 |
| 11 (CH) | 124.7 |
| 12 (C) | 136.8 |
| 13 (CH2) | 27.9 |
| 14 (CH2) | 32 |
| 15 (CH) | 32.8 |
| 16 (CH3) | 19.2 |
| 17 (CH3) | 20.7 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 16.1 |
