Spektraris NMR
Cembrene
Common Name: Cembrene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
InChIKey: InChIKey=VWSPQDDPRITBAM-KPGNMOGWSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bai, S., Jain, M. Magn Reson Chem (2008) 46, 791-3
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) | 45.9 |
| 2 (CH2) | 32.4 |
| 3 (CH) | 124.1 |
| 4 (C) | 134.7 |
| 5 (CH2) | 38.9 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 125.9 |
| 8 (C) | 133.5 |
| 9 (CH2) | 39.5 |
| 10 (CH2) | 23.8 |
| 11 (CH) | 121.8 |
| 12 (C) | 134.1 |
| 13 (CH2) | 33.9 |
| 14 (CH2) | 28.3 |
| 15 (C) | 149.5 |
| 16 (CH3) | 19.2 |
| 17 (CH2) | 110.2 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 15.7 |
| 20 (CH3) | 18.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.