Spektraris NMR
2'-Hydroxymollugin
Common Name: 2'-Hydroxymollugin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-17(2)12(18)8-11-13(16(20)21-3)14(19)9-6-4-5-7-10(9)15(11)22-17/h4-8,18-19H,1-3H3
InChIKey: InChIKey=MCOTTYOKTYHERV-UHFFFAOYSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
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) | 159.37 |
| 2 (C) | 99.43 |
| 3 (C) | 120.67 |
| 4 (C) | 143.92 |
| 5 (CH) | 124.98 |
| 6 (CH) | 130.18 |
| 7 (CH) | 125.17 |
| 8 (CH) | 119.85 |
| 9 (C) | 125.11 |
| 10 (C) | 122.97 |
| 1' (CH) | 103.53 |
| 2' (C) | 162.75 |
| 3' (C) | 69.69 |
| 4' (CH3) | 29.23 |
| 5' (CH3) | 29.23 |
| 2a (C) | 172.15 |
| 2b (CH3) | 52.24 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.