Spektraris NMR
Mastigophoric Acid Methyl Ester
Common Name: Mastigophoric Acid Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-15(2)8-5-9-16(15,3)12-10-11(14(18)19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3/t16-/m1/s1
InChIKey: InChIKey=OZUSKNVBEXWWEN-MRXNPFEDSA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Asakawa, Y. Chem Pharm Bull (2004) 52, 1382-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Herbertanes; 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) | 158.7 |
| 2 (CH) | 116.7 |
| 3 (CH) | 129 |
| 4 (C) | 122.1 |
| 5 (CH) | 131.6 |
| 6 (C) | 133.3 |
| 7 (C) | 51 |
| 8 (CH2) | 39.5 |
| 9 (CH2) | 20.2 |
| 10 (CH2) | 41.2 |
| 11 (C) | 44.6 |
| 12 (C) | 167.2 |
| 13 (CH3) | 22.6 |
| 14 (CH3) | 25.5 |
| 15 (CH3) | 26.9 |
| 12a (CH3) | 51.8 |
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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.