Spektraris NMR
3-Hydroxy-cleroda-4(18),13Z-dien-15-oic acid
Common Name: 3-Hydroxy-cleroda-4(18),13Z-dien-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(12-18(22)23)8-10-19(4)14(2)9-11-20(5)15(3)16(21)6-7-17(19)20/h12,14,16-17,21H,3,6-11H2,1-2,4-5H3,(H,22,23)/b13-12+/t14-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=HAJOZSCGDNIJGQ-YYXRFELFSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wijerathne, E.M.K., Desilva, L.B., Tezuka, Y., Kikuchi, T. Phytochemistry (1995) 39, 443-5
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) | 21 |
| 2 (CH2) | 38.3 |
| 3 (CH) | 68.9 |
| 4 (C) | 163.7 |
| 5 (C) | 40.4 |
| 6 (CH2) | 38 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 36.8 |
| 9 (C) | 39.5 |
| 10 (CH) | 48.8 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 34.5 |
| 13 (C) | 159.5 |
| 14 (CH) | 117.4 |
| 15 (C) | 169.2 |
| 16 (CH3) | 19 |
| 17 (CH3) | 16 |
| 18 (CH2) | 100.1 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 18.2 |
