Spektraris NMR
Debenzoyl-7-deoxo-7a-hydroxy-3-oxotashironin
Common Name: Debenzoyl-7-deoxo-7a-hydroxy-3-oxotashironin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O6/c1-7-4-8(16)14(19)11(2)6-21-15(20)10(18)13(7,14)5-9(17)12(11,15)3/h7,9-10,17-20H,4-6H2,1-3H3/t7-,9+,10-,11-,12+,13+,14+,15-/m1/s1
InChIKey: InChIKey=CCTNZLOEWMQWQQ-WZALULHESA-N
Formula: C15H22O6
Molecular Weight: 298.332165
Exact Mass: 298.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schmidt, T.J., Muller, E., Fronczek, F.R. J Nat Prod (2001) 64, 411-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cedranes; 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 (C) | 48.9 |
| 2 (CH) | 35 |
| 3 (CH2) | 44.9 |
| 4 (C) | 214 |
| 5 (C) | 81.8 |
| 6 (C) | 47.2 |
| 7 (C) | 49.5 |
| 8 (C) | 105.5 |
| 9 (CH) | 77.1 |
| 10 (CH) | 71 |
| 11 (CH2) | 35.8 |
| 12 (CH3) | 12.9 |
| 13 (CH3) | 17.3 |
| 14 (CH2) | 71.5 |
| 15 (CH3) | 12.6 |
