Spektraris NMR
7α,11α-Dihydroxy-4(13),8-coloratadien-12,11-olide
Common Name: 7α,11α-Dihydroxy-4(13),8-coloratadien-12,11-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-7-4-5-15(3)9(8(7)2)6-10(16)11-12(15)14(18)19-13(11)17/h7,9-10,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,14+,15-/m0/s1
InChIKey: InChIKey=RKXFCMNFPWEQDW-AKHPIHOKSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wube, A.A., Wenzig, E.M., Gibbons, S., Asres, K., Bauer, R., Bucar, F. Phytochemistry (2008) 69, 982-7
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) | 35.1 |
| 2 (CH2) | 32.6 |
| 3 (CH) | 39.1 |
| 4 (C) | 153.5 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 59.7 |
| 8 (C) | 129.5 |
| 9 (C) | 170 |
| 10 (C) | 39.4 |
| 11 (CH) | 97.8 |
| 12 (C) | 170.7 |
| 13 (CH2) | 105.1 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 17.2 |
