Spektraris NMR
6a,9a-Dihydroxy-4(13),7-coloratadien-11,12-dial
Common Name: 6a,9a-Dihydroxy-4(13),7-coloratadien-11,12-dial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-9-4-5-14(3)13(10(9)2)12(18)6-11(7-16)15(14,19)8-17/h6-9,12-13,18-19H,2,4-5H2,1,3H3/t9-,12-,13+,14-,15+/m0/s1
InChIKey: InChIKey=LFSPEOPTWSAZEP-FRDLFTECSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wube, A.A., Bucar, F., Gibbons, S., Asres, K. Phytochemistry (2005) 66, 2309-15
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Coloratanes; 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) | 31.7 |
| 2 (CH2) | 31.8 |
| 3 (CH) | 38.8 |
| 4 (C) | 149.1 |
| 5 (CH) | 50.4 |
| 6 (CH) | 66.1 |
| 7 (CH) | 153.7 |
| 8 (C) | 139.3 |
| 9 (C) | 77.6 |
| 10 (C) | 44.1 |
| 11 (CH) | 200.5 |
| 12 (CH) | 192.6 |
| 13 (CH2) | 106.7 |
| 14 (CH3) | 18.2 |
| 15 (CH3) | 15.8 |
