Spektraris NMR
(+)-(5S,8S,10S)-20-Methoxy-9,15-ene-puupehenol
Common Name: (+)-(5S,8S,10S)-20-Methoxy-9,15-ene-puupehenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-17(24-5)15(23)13-16(14)25-22/h11-13,18,23H,6-10H2,1-5H3/t18-,21-,22-/m0/s1
InChIKey: InChIKey=BUIFJDSTUGQXPL-NYVOZVTQSA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pina, I.C., Sanders, M.L., Crews, P. J Nat Prod (2003) 66, 2-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 39.3 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.9 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 31.1 |
| 8 (C) | 76.7 |
| 9 (C) | 149.9 |
| 10 (C) | 38.7 |
| 11 (CH) | 114.1 |
| 12 (CH3) | 25.1 |
| 13 (CH3) | 32.9 |
| 14 (CH3) | 21.3 |
| 15 (CH3) | 25.6 |
| 1' (C) | 116.5 |
| 2' (C) | 146.4 |
| 3' (CH) | 103.6 |
| 4' (C) | 145.6 |
| 5' (C) | 141.1 |
| 6' (CH) | 109 |
| 5'a (CH3) | 56.7 |
