Spektraris NMR
11a-Oncocalyxona C
Common Name: 11a-Oncocalyxona C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-4-24-18-9-5-6-13(21)19(2)8-10-14(17(25-18)15(9)19)11(20)7-12(23-3)16(10)22/h7,9,13,15,17-18,21H,4-6,8H2,1-3H3/t9-,13-,15-,17-,18+,19-/m1/s1
InChIKey: InChIKey=VNWSJIADLPVAIE-QQWOANRGSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
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) | 183.3 |
| 2 (C) | 158.9 |
| 3 (CH) | 108.3 |
| 4 (C) | 187.1 |
| 4a (C) | 139.3 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 77.8 |
| 8a (C) | 37.9 |
| 9 (CH2) | 24.2 |
| 9a (C) | 138.5 |
| 10 (CH) | 71.2 |
| 10a (CH) | 46.6 |
| 1' (CH) | 103.5 |
| 1'' (CH3) | 24.3 |
| 2a (CH3) | 56.6 |
| 1'a (CH2) | 63.6 |
| 1'b (CH3) | 15.5 |
