Spektraris NMR
(3S)-30-Hydroxy-3-butyl phthalide
Common Name: (3S)-30-Hydroxy-3-butyl phthalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H14O3/c1-8(13)6-7-11-9-4-2-3-5-10(9)12(14)15-11/h2-5,8,11,13H,6-7H2,1H3/t8-,11?/m0/s1
InChIKey: InChIKey=BOPXPQRBGFXGQN-YMNIQAILSA-N
Formula: C12H14O3
Molecular Weight: 206.238216
Exact Mass: 206.094294
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Ishikawa, T., Satoh, M. Phytochemistry (2003) 64, 1003-11
Species:
Notes: Family : Aromatics, Type : Phthalides, Group : Alkylphthalides; 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) | 170.68 |
| 3 (CH) | 82.06 |
| 4 (CH) | 122.59 |
| 5 (CH) | 134.3 |
| 6 (CH) | 129.35 |
| 7 (CH) | 125.56 |
| 8 (C) | 126.6 |
| 9 (C) | 150.77 |
| 1' (CH2) | 31.86 |
| 2' (CH2) | 34.64 |
| 3' (CH) | 66.74 |
| 4' (CH3) | 24.26 |
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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.