Spektraris NMR
3,4-dihydroxyclerodan-13E-en-15-oic acid
Common Name: 3,4-dihydroxyclerodan-13E-en-15-oic acid
Synonyms: 3,4-dihydroxyclerodan-13E-en-15-oic acid
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-NLZYYNFASA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CD3OD
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) | 19.3 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 77 |
| 4 (C) | 78.1 |
| 5 (C) | 43.7 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 29.2 |
| 8 (CH) | 38.2 |
| 9 (C) | 40.2 |
| 10 (CH) | 43.5 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 36.8 |
| 13 (C) | 163.3 |
| 14 (CH) | 116.3 |
| 15 (C) | 170.5 |
| 16 (CH3) | 19.3 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 29.9 |
