Spektraris NMR
3,4-Dihydroxyclerodan-13Z-en-15-oic acid
Common Name: 3,4-Dihydroxyclerodan-13Z-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h12,14-16,21,24H,6-11H2,1-5H3,(H,22,23)/b13-12-/t14-,15+,16-,18-,19-,20-/m1/s1
InChIKey: InChIKey=JWWWAEIMVGEDRK-LCZFBXQUSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
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) | 18.3 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 81.8 |
| 4 (C) | 75.8 |
| 5 (C) | 41.9 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 36.9 |
| 9 (C) | 39.1 |
| 10 (CH) | 42.6 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 36.1 |
| 13 (C) | 164.5 |
| 14 (CH) | 114.5 |
| 15 (C) | 171 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 29.2 |
