Spektraris NMR
Hibiscone C
Common Name: Hibiscone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10H,4-5H2,1-3H3/t8-,9+,10+/m0/s1
InChIKey: InChIKey=ITOFWMRNIIFZKF-IVZWLZJFSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhang, X.H., Zhang, S.W., Xuan, L.J. Heterocycles (2008) 75, 661-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 144.8 |
| 2 (C) | 144.5 |
| 3 (C) | 188.7 |
| 4 (CH) | 42.7 |
| 5 (CH2) | 35.9 |
| 6 (CH) | 30 |
| 7 (CH) | 47.9 |
| 8 (CH2) | 40 |
| 9 (C) | 193.3 |
| 10 (C) | 123.2 |
| 11 (CH) | 26.6 |
| 12 (CH3) | 20.8 |
| 13 (CH3) | 15.4 |
| 14 (CH3) | 16.4 |
| 15 (CH) | 147.7 |
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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.