Spektraris NMR
3,4-epoxyclerodan-13E-en-15-oic acid
Common Name: 3,4-epoxyclerodan-13E-en-15-oic acid
Synonyms: 3,4-epoxyclerodan-13E-en-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(12-17(21)22)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16-20(19,5)23-16/h12,14-16H,6-11H2,1-5H3,(H,21,22)/b13-12+/t14-,15+,16+,18+,19-,20+/m0/s1
InChIKey: InChIKey=ZIERSMJBWUDONC-XYHGBDLASA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cavin, A.L., Hay, A.E., Marston, A., Stoeckli-Evans, H., Scopelliti, R., Diallo, D., Hostettmann, K. J Nat Prod (2006) 69, 768-73
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) | 20 |
| 2 (CH2) | 25.1 |
| 3 (CH) | 62.6 |
| 4 (C) | 65.9 |
| 5 (C) | 38.1 |
| 6 (CH2) | 30.5 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 37 |
| 9 (C) | 38.5 |
| 10 (CH) | 41.6 |
| 11 (CH2) | 34.1 |
| 12 (CH2) | 35.7 |
| 13 (C) | 164.7 |
| 14 (CH) | 114.3 |
| 15 (C) | 170.9 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 19.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 29.6 |
