Spektraris NMR
Nigrolineaxanthone S
Common Name: Nigrolineaxanthone S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O5/c1-17(2)8-5-9-18(3)10-7-14-28(4)15-13-19-23(33-28)16-22(30)24-25(31)20-11-6-12-21(29)26(20)32-27(19)24/h6,8,10-13,15-16,29-30H,5,7,9,14H2,1-4H3/b18-10+
InChIKey: InChIKey=RBHZFZSVMMGEQW-VCHYOVAHSA-N
Formula: C28H30O5
Molecular Weight: 446.535852
Exact Mass: 446.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Kamkaew, M., Sukavisit, D., Phongpaichit, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 1531-5
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 163.4 |
| 2 (CH) | 99.6 |
| 3 (C) | 161.4 |
| 4 (C) | 100.8 |
| 4a (C) | 150.9 |
| 5 (C) | 144.3 |
| 6 (CH) | 120.4 |
| 7 (CH) | 124.2 |
| 8 (CH) | 117.1 |
| 8a (C) | 121.2 |
| 9 (C) | 180.7 |
| 9a (C) | 103.5 |
| 10a (C) | 144.1 |
| 1' (CH) | 115 |
| 2' (CH) | 126.6 |
| 3' (C) | 80.9 |
| 4' (CH2) | 41.6 |
| 5' (CH2) | 22.5 |
| 6' (CH) | 123.4 |
| 7' (C) | 135.8 |
| 8' (CH2) | 39.6 |
| 9' (CH2) | 26.6 |
| 10' (CH) | 124.2 |
| 11' (C) | 131.4 |
| 12' (CH3) | 25.7 |
| 13' (CH3) | 16 |
| 14' (CH3) | 27.1 |
| 15' (CH3) | 17.7 |
