Spektraris NMR
Isoplorantinone
Common Name: Isoplorantinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-11-4-5-15(11,3)12-7-14(2,8-16)6-10(12)13(9)17/h10,12,16H,4-8H2,1-3H3/t10-,12+,14-,15-/m1/s1
InChIKey: InChIKey=HPOGLDHHCCWZQO-DZGBDDFRSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, Y., Yang, S.P., Yue, J.M., Chow, S., Kitching, W. Helv Chim Acta (2003) 86, 2424-33
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Protoilludanes; 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 (CH2) | 37.9 |
| 2 (CH) | 57.4 |
| 3 (C) | 50.6 |
| 4 (CH2) | 34.3 |
| 5 (CH2) | 31.4 |
| 6 (C) | 173.4 |
| 7 (C) | 126.2 |
| 8 (C) | 204.5 |
| 9 (CH) | 50.6 |
| 10 (CH2) | 37.4 |
| 11 (C) | 43.5 |
| 12 (CH2) | 72.1 |
| 13 (CH3) | 27.4 |
| 14 (CH3) | 9.7 |
| 15 (CH3) | 16.6 |
