Spektraris NMR
(-)-cis-Ccleroda-1,3,13-trien-16-hydroxy-15,18-dioicacid-15,16-olide
Common Name: (-)-cis-Ccleroda-1,3,13-trien-16-hydroxy-15,18-dioicacid-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-7-9-20(3)14(17(22)23)5-4-6-15(20)19(12,2)10-8-13-11-16(21)25-18(13)24/h4-6,11-12,15,18,24H,7-10H2,1-3H3,(H,22,23)/t12-,15-,18?,19+,20-/m0/s1
InChIKey: InChIKey=ITETYEPZHSFHJL-AQQSMZQUSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geis, W., Buschauer, B., Becker, H. Phytochemistry (1999) 51, 643-9
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 (CH) | 133.4 |
| 2 (CH) | 125.5 |
| 3 (CH) | 135.7 |
| 4 (C) | 135.5 |
| 5 (C) | 40.8 |
| 6 (CH2) | 34.7 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 36.3 |
| 9 (C) | 36.9 |
| 10 (CH) | 48.3 |
| 11 (CH2) | 33.7 |
| 12 (CH2) | 21.5 |
| 13 (C) | 169.2 |
| 14 (CH) | 117.6 |
| 15 (C) | 170.4 |
| 16 (CH) | 98.5 |
| 17 (CH3) | 15.9 |
| 18 (C) | 171.1 |
| 19 (CH3) | 29.5 |
| 20 (CH3) | 16.1 |
