Spektraris NMR
3-Oxopseudoanisatin
Common Name: 3-Oxopseudoanisatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8,19-20H,4-7H2,1-3H3/t8-,12-,13+,14-,15+/m1/s1
InChIKey: InChIKey=UXSLPZBFZDNZJH-WMNSZERYSA-N
Formula: C15H20O6
Molecular Weight: 296.316283
Exact Mass: 296.125988
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yokoyama, R., Huang, J.M., Hosoda, A., Kino, K., Yang, C.S., Fukuyama, Y. J Nat Prod (2003) 66, 799-803
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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 (CH) | 35.9 |
| 2 (CH2) | 41.5 |
| 3 (C) | 210.2 |
| 4 (C) | 78.8 |
| 5 (C) | 46.4 |
| 6 (C) | 83.5 |
| 7 (C) | 205.2 |
| 8 (CH2) | 40.8 |
| 9 (C) | 47.8 |
| 10 (CH2) | 35.2 |
| 11 (C) | 172.2 |
| 12 (CH3) | 17.1 |
| 13 (CH3) | 13.2 |
| 14 (CH2) | 69.7 |
| 15 (CH3) | 13 |
