Spektraris NMR
Gymnomitr-8(12)-en-4-one
Common Name: Gymnomitr-8(12)-en-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-10-5-6-13(2)9-12(10)14(3)7-11(16)8-15(13,14)4/h12H,1,5-9H2,2-4H3/t12-,13-,14-,15+/m0/s1
InChIKey: InChIKey=QDOQZVPLNFNMPI-ZQDZILKHSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Toyota, M., Konoshima, M., Yoshinori, A. Phytochemistry (1999) 52, 105-12
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Gymnomitranes; 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) | 44.9 |
| 2 (C) | 50.7 |
| 3 (CH2) | 49.8 |
| 4 (C) | 221.4 |
| 5 (CH2) | 50.1 |
| 6 (C) | 48.9 |
| 7 (CH) | 57.1 |
| 8 (C) | 149.4 |
| 9 (CH2) | 28.2 |
| 10 (CH2) | 37.9 |
| 11 (CH2) | 43.6 |
| 12 (CH2) | 109.9 |
| 13 (CH3) | 24.8 |
| 14 (CH3) | 24 |
| 15 (CH3) | 27.9 |
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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.