Spektraris NMR
(-)-cis-Cleroda-3,13-dien-16-hydroxy-15,18-dioicacid-15,16-olide
Common Name: (-)-cis-Cleroda-3,13-dien-16-hydroxy-15,18-dioicacid-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/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/h5,11-12,15,18,24H,4,6-10H2,1-3H3,(H,22,23)/t12-,15-,18?,19+,20-/m0/s1
InChIKey: InChIKey=JMRXLJIRIMJFBW-AQQSMZQUSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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 (CH2) | 16.9 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 141.9 |
| 4 (C) | 137.3 |
| 5 (C) | 40.3 |
| 6 (CH2) | 34.8 |
| 7 (CH2) | 28.5 |
| 8 (CH) | 37.9 |
| 9 (C) | 36.4 |
| 10 (CH) | 45.5 |
| 11 (CH2) | 36.8 |
| 12 (CH2) | 21.2 |
| 13 (C) | 169.6 |
| 14 (CH) | 117.5 |
| 15 (C) | 170.4 |
| 16 (CH) | 98.5 |
| 17 (CH3) | 15.9 |
| 18 (C) | 171.4 |
| 19 (CH3) | 33.4 |
| 20 (CH3) | 17.9 |
