Spektraris NMR
15-Acetoxy-cis-clerodan-3-ene-18-al
Common Name: 15-Acetoxy-cis-clerodan-3-ene-18-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/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/h7,15-17,20H,6,8-14H2,1-5H3/t16?,17-,20-,21+,22-/m1/s1
InChIKey: InChIKey=YDVJPRKDQXYPCK-XHKOOZQBSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 16.8 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 155.9 |
| 4 (C) | 147.5 |
| 5 (C) | 36.6 |
| 6 (CH2) | 35.5 |
| 7 (CH2) | 28.5 |
| 8 (CH) | 37.3 |
| 9 (C) | 40 |
| 10 (CH) | 44.9 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 29.5 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 35.4 |
| 15 (CH2) | 63.1 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 18.1 |
| 18 (CH) | 194.2 |
| 19 (CH3) | 33.1 |
| 20 (CH3) | 15.9 |
| 15a (C) | 171 |
| 15b (CH3) | 21 |
