Spektraris NMR
3-Hydroxymegastigm-5-en-9-one
Common Name: 3-Hydroxymegastigm-5-en-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3/t11-/m0/s1
InChIKey: InChIKey=KFZDTDKRRFEMEK-NSHDSACASA-N
Formula: C13H22O2
Molecular Weight: 210.313073
Exact Mass: 210.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, T.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1999) 51, 793-801
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 37.7 |
| 2 (CH2) | 48.3 |
| 3 (CH) | 65 |
| 4 (CH2) | 44.2 |
| 5 (C) | 124.8 |
| 6 (C) | 135.9 |
| 7 (CH2) | 21.7 |
| 8 (CH2) | 42.1 |
| 9 (C) | 208.5 |
| 10 (CH3) | 28.2 |
| 11 (CH3) | 29.2 |
| 12 (CH3) | 29.4 |
| 13 (CH3) | 19.5 |
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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.