Spektraris NMR
Capitellataquinone B
Common Name: Capitellataquinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O7/c1-20(2,26)19-17(25)14-13-10(6-8(7-21)18(14)27-19)16(24)12-9(15(13)23)4-3-5-11(12)22/h3-6,17,19,21-22,25-26H,7H2,1-2H3
InChIKey: InChIKey=PDGGEMXVDWVFTE-UHFFFAOYSA-N
Formula: C20H18O7
Molecular Weight: 370.353486
Exact Mass: 370.105253
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ahmad, R., Shaari, K., Lajis, N.H., Hamzah, A.S., Ismail, N.H., Kitajima, M. Phytochemistry (2005) 66, 1141-7
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 127.9 |
| 2 (C) | 132 |
| 3 (C) | 162.7 |
| 4 (C) | 131.1 |
| 4a (C) | 130.3 |
| 5 (CH) | 119.3 |
| 6 (CH) | 136.7 |
| 7 (CH) | 124.6 |
| 8 (C) | 161 |
| 8a (C) | 116.1 |
| 9 (C) | 188.1 |
| 9a (C) | 126.9 |
| 10 (C) | 184.7 |
| 10a (C) | 134.1 |
| 13 (CH2) | 58.2 |
| 1' (CH) | 71.9 |
| 2' (CH) | 98.4 |
| 3' (C) | 70.5 |
| 4' (CH3) | 24.8 |
| 5' (CH3) | 25.3 |
