Spektraris NMR
7b-Hydroxy-4(13),8-coloratadien-11,12-olide
Common Name: 7b-Hydroxy-4(13),8-coloratadien-11,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-5-15(3)11(9(8)2)6-12(16)10-7-18-14(17)13(10)15/h8,11-12,16H,2,4-7H2,1,3H3/t8-,11-,12-,15-/m0/s1
InChIKey: InChIKey=YIADAXTULGQCOZ-REXDEQPNSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
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) | 33.7 |
| 2 (CH2) | 31.8 |
| 3 (CH) | 38.5 |
| 4 (C) | 152 |
| 5 (CH) | 44.2 |
| 6 (CH2) | 31.5 |
| 7 (CH) | 62.3 |
| 8 (C) | 56.9 |
| 9 (C) | 137.4 |
| 10 (C) | 36.8 |
| 11 (C) | 172.1 |
| 12 (CH2) | 69.9 |
| 13 (CH2) | 104.7 |
| 14 (CH3) | 18.1 |
| 15 (CH3) | 16.4 |
