Spektraris NMR
Illudosone hemiacetal
Common Name: Illudosone hemiacetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-12-10(16)6-15(12,4)9-5-14(2,3)7-11(9)18-13(8)17/h9,11,13,17H,5-7H2,1-4H3/t9-,11-,13+,15+/m0/s1
InChIKey: InChIKey=UJUDUTPSCRULOQ-SQWGHXPGSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - McMorris T.C., Kashinatham A., Lira R., Rundgren H., Gantzel P.K., Kelner M.J., Dawe R. Phytochemistry (2002) 61, 395-8
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 (CH) | 95.2 |
| 2 (C) | 145.6 |
| 3 (C) | 134.8 |
| 4 (C) | 191.2 |
| 5 (CH2) | 46.8 |
| 6 (C) | 28 |
| 7 (CH) | 43.1 |
| 8 (CH2) | 36.6 |
| 9 (C) | 24.8 |
| 10 (CH2) | 47.2 |
| 11 (CH) | 57 |
| 12 (CH3) | 11.5 |
| 13 (CH3) | 20.8 |
| 14 (CH3) | 30.6 |
| 15 (CH3) | 29.8 |
