Spektraris NMR
(5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid
Common Name: (5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid
Synonyms: (5alpha,8beta,10beta)-Cassa-13(14),15-diene-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-5-14-7-9-16-15(13(14)2)8-10-17-19(16,3)11-6-12-20(17,4)18(21)22/h5,15-17H,1,6-12H2,2-4H3,(H,21,22)/t15-,16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=AKARDCJUGQYTMY-OIGVQNGMSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kido, T., Taniguchi, M., Baba, K. Chem Pharm Bull (2003) 51, 207-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 38.8 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 37.9 |
| 4 (C) | 43.8 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 41.5 |
| 9 (CH) | 53.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.6 |
| 13 (C) | 128.5 |
| 14 (C) | 136.8 |
| 15 (CH) | 135.5 |
| 16 (CH2) | 110.8 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 28.8 |
| 19 (C) | 184.5 |
| 20 (CH3) | 12.5 |
