Spektraris NMR
Indicumenone
Common Name: Indicumenone
Synonyms: Indicumenone
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-11-6-7-12(10-13(11)16)15(4,18)9-5-8-14(2,3)17/h5-6,8,12,17-18H,7,9-10H2,1-4H3/b8-5+/t12-,15+/m0/s1
InChIKey: InChIKey=PJTUFUCFUDAEPU-YYTFBVJBSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Trifunovic, S., Vajs, V., Juranic, Z., Zizak, Z., Tesevic, V., Macura, S., Milosavljevic, S. Phytochemistry (2006) 67, 887-93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 27.2 |
| 2 (CH) | 144.9 |
| 3 (C) | 135.3 |
| 4 (C) | 200.4 |
| 5 (CH2) | 38.8 |
| 6 (CH) | 44.1 |
| 7 (C) | 72.8 |
| 8 (CH2) | 42.3 |
| 9 (CH) | 121 |
| 10 (CH) | 143 |
| 11 (C) | 70.7 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 29.7 |
| 14 (CH3) | 23.9 |
| 15 (CH3) | 15.6 |
