Spektraris NMR
Nigrolineaquinone A
Common Name: Nigrolineaquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O3/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-24-26(29)23(6)18-25(28)27(24)30/h10,12,14,16,18,30H,7-9,11,13,15,17H2,1-6H3/b20-12+,21-14+,22-16+
InChIKey: InChIKey=UIUVNWSNDJMLEF-VOLDSXALSA-N
Formula: C27H38O3
Molecular Weight: 410.589833
Exact Mass: 410.282095
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 : 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) | 183.4 |
| 2 (C) | 150.6 |
| 3 (C) | 120.6 |
| 4 (C) | 187.4 |
| 5 (C) | 149.1 |
| 6 (CH) | 128.4 |
| 3a (CH2) | 22.1 |
| 3b (CH) | 119.6 |
| 3c (C) | 137.2 |
| 3d (CH2) | 39.7 |
| 3e (CH2) | 26.5 |
| 3f (CH) | 124.1 |
| 3g (C) | 135.1 |
| 3h (CH2) | 39.7 |
| 3i (CH2) | 26.7 |
| 3j (CH) | 124.3 |
| 3k (C) | 134.9 |
| 3l (CH2) | 39.7 |
| 3m (CH2) | 26.8 |
| 3n (CH) | 124.4 |
| 3o (C) | 131.3 |
| 3p (CH3) | 25.7 |
| 3aa (CH3) | 16 |
| 3ca (CH3) | 16.2 |
| 3ea (CH3) | 16 |
| 3ga (CH3) | 17.7 |
| 5a (CH3) | 16.6 |
