Spektraris NMR
1'-Methoxy-2'-hydroxydihydromollugin
Common Name: 1'-Methoxy-2'-hydroxydihydromollugin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-18(2)16(22-3)14(20)11-12(17(21)23-4)13(19)9-7-5-6-8-10(9)15(11)24-18/h5-8,19-20H,1-4H3
InChIKey: InChIKey=CAXUNUVRMXDQDP-UHFFFAOYSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Itokawa, H., Ibraheim, Z.Z., Qiao, Y.F., Takeya, K. Chem Pharm Bull (1993) 41, 1869-72
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthoquinones; 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) | 155.27 |
| 2 (C) | 104.94 |
| 3 (C) | 110.87 |
| 4 (C) | 141.61 |
| 5 (CH) | 123.8 |
| 6 (CH) | 129.14 |
| 7 (CH) | 126.24 |
| 8 (CH) | 122.36 |
| 9 (C) | 125.73 |
| 10 (C) | 128.62 |
| 1' (C) | 76.73 |
| 2' (C) | 71.71 |
| 3' (C) | 76.92 |
| 4' (CH3) | 20.82 |
| 5' (CH3) | 24.57 |
| 2a (C) | 171.98 |
| 2b (CH3) | 52.5 |
| 2'a (CH3) | 55.69 |
