Spektraris NMR
15-Acetoxy-3-ene-cis-clerodan-18-ol
Common Name: 15-Acetoxy-3-ene-cis-clerodan-18-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O3/c1-16(11-14-25-18(3)24)9-12-21(4)17(2)10-13-22(5)19(15-23)7-6-8-20(21)22/h7,16-17,20,23H,6,8-15H2,1-5H3/t16?,17-,20-,21+,22-/m1/s1
InChIKey: InChIKey=JXJUDJCWRDJMCG-XHKOOZQBSA-N
Formula: C22H38O3
Molecular Weight: 350.536153
Exact Mass: 350.282095
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) | 124.8 |
| 4 (C) | 143.2 |
| 5 (C) | 36.2 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 28.9 |
| 8 (CH) | 37.2 |
| 9 (C) | 39.9 |
| 10 (CH) | 45 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 29.4 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 35.4 |
| 15 (CH2) | 63.1 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 64.8 |
| 19 (CH3) | 35 |
| 20 (CH3) | 15.9 |
| 15a (C) | 171.2 |
| 15b (CH3) | 21 |
