Spektraris NMR
(5beta,8alpha,10alpha,13S)-Pimara-9(11),15-diene-18-oic acid
Common Name: (5beta,8alpha,10alpha,13S)-Pimara-9(11),15-diene-18-oic acid
Synonyms: (5beta,8alpha,10alpha,13S)-Pimara-9(11),15-diene-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=TVHDZSRRHQKNEZ-YANNOABASA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, Y.H., Chung, B.S., Sankawa, U. J Nat Prod (1988) 51, 1080-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 41.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 38 |
| 4 (C) | 44.1 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 28.6 |
| 9 (C) | 149.7 |
| 10 (C) | 38.4 |
| 11 (CH) | 116.5 |
| 12 (CH2) | 37.4 |
| 13 (C) | 34.8 |
| 14 (CH2) | 41.7 |
| 15 (CH) | 150 |
| 16 (CH2) | 109.1 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 28.5 |
| 19 (C) | 185 |
| 20 (CH3) | 22.3 |
