Spektraris NMR
cis-Clerodan-3-ene-15-oicacidorepi-populifolicacid
Common Name: cis-Clerodan-3-ene-15-oicacidorepi-populifolicacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,14,16-17H,6,8-13H2,1-5H3,(H,21,22)/t14?,16-,17-,19+,20-/m1/s1
InChIKey: InChIKey=OLMDNYBRDSKWMV-SXURVLOESA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
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) | 17.6 |
| 2 (CH2) | 24.7 |
| 3 (CH) | 123.1 |
| 4 (C) | 139.9 |
| 5 (C) | 36.8 |
| 6 (CH2) | 37.7 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 37.2 |
| 9 (C) | 41.5 |
| 10 (CH) | 44.5 |
| 11 (CH2) | 35 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 30.9 |
| 14 (CH2) | 41.4 |
| 15 (C) | 179 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 33 |
| 20 (CH3) | 15.9 |
