Spektraris NMR
(5alpha,8alpha,9S,10beta,13E)-19-Oxocleroda-3,13-dien-15-oic acid
Common Name: (5alpha,8alpha,9S,10beta,13E)-19-Oxocleroda-3,13-dien-15-oic acid
Synonyms: (5alpha,8alpha,9S,10beta,13E)-19-Oxocleroda-3,13-dien-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+/m1/s1
InChIKey: InChIKey=ULLJDGCXCCTKEW-CMOYGFMLSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lajide, L., Escoubas, P., Mizutani, J. Phytochemistry (1995) 40, 1101-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.6 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 157.9 |
| 4 (C) | 137.5 |
| 5 (C) | 38.2 |
| 6 (CH2) | 35.3 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.5 |
| 10 (CH) | 49 |
| 11 (CH2) | 34.5 |
| 12 (CH2) | 37.8 |
| 13 (C) | 164.3 |
| 14 (CH) | 114.8 |
| 15 (C) | 170.5 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 15.5 |
| 18 (CH) | 189.1 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 17.6 |
