Spektraris NMR
Mopaneol B
Common Name: Mopaneol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-14-6-7-15-17(2,3)16(22)8-9-19(15,5)20(14)11-10-18(4,23-20)12-13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15-,16+,18+,19-,20+/m0/s1
InChIKey: InChIKey=IFDKAJZHSHFNDP-YANDEMMWSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Reiter E., Treadwell E., Cederstrom E., Reichardt P.B., Clausen T.P. J Nat Prod (2003) 66, 30-3
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) | 26.7 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 76 |
| 4 (C) | 38 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 17.1 |
| 7 (CH2) | 29.9 |
| 8 (CH) | 40.5 |
| 9 (C) | 93.8 |
| 10 (C) | 42.2 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 39.6 |
| 13 (C) | 83.5 |
| 14 (CH2) | 42.9 |
| 15 (CH2) | 59.8 |
| 16 (CH3) | 28.9 |
| 17 (CH3) | 18.11 |
| 18 (CH3) | 26.6 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 18.3 |
