Spektraris NMR
Oncocalyxona A
Common Name: Oncocalyxona A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O5/c1-17-7-11-10(13(19)6-14(22-2)16(11)21)5-12(17)9(8-18)3-4-15(17)20/h3,5-6,15,18,20H,4,7-8H2,1-2H3/t15-,17+/m1/s1
InChIKey: InChIKey=MRGIIGDGPRVYJG-WBVHZDCISA-N
Formula: C17H18O5
Molecular Weight: 302.322468
Exact Mass: 302.115424
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Costa, J.G.M., Pessoa, O.D.L., Monte, F.J.Q., Menezes, E.A., Lemos, T.L.G. Quim Nova (2005) 28, 591-5
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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) | 180.8 |
| 2 (C) | 159.4 |
| 3 (CH) | 106 |
| 4 (C) | 185.7 |
| 4a (C) | 134.1 |
| 5 (C) | 135 |
| 6 (CH) | 128 |
| 7 (CH2) | 31.6 |
| 8 (CH) | 69.7 |
| 8a (C) | 38.9 |
| 9 (CH2) | 28.8 |
| 9a (C) | 132.7 |
| 10 (CH) | 146.4 |
| 10a (C) | 135.1 |
| 1' (CH2) | 61.2 |
| 1'' (CH3) | 20.9 |
| 2a (CH3) | 56.3 |
