Spektraris NMR
18-Hydroxy-cis-clerodan-3-ene-15-oicacid
Common Name: 18-Hydroxy-cis-clerodan-3-ene-15-oicacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14?,15-,17-,19+,20-/m1/s1
InChIKey: InChIKey=FVXAJZRADGVLQM-GBQBBRBDSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalpoutzakis, E., Aligiannis, N., Skaltsounis, A.L., Mitakou, S. J Nat Prod (2003) 66, 316-9
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) | 17.3 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 125 |
| 4 (C) | 143.1 |
| 5 (C) | 36.2 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 28.9 |
| 8 (CH) | 37.3 |
| 9 (C) | 40.1 |
| 10 (CH) | 45.1 |
| 11 (CH2) | 35 |
| 12 (CH2) | 29.2 |
| 13 (CH) | 30.9 |
| 14 (CH2) | 41.4 |
| 15 (C) | 178.9 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 64.7 |
| 19 (CH3) | 35 |
| 20 (CH3) | 15.8 |
