Spektraris NMR
7-Hydroxycalamenene
Common Name: 7-Hydroxycalamenene
Synonyms: 7-Hydroxycalamenene
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,16H,5-6H2,1-4H3/t10-,12+/m0/s1
InChIKey: InChIKey=UTBFITAKBXMXCZ-CMPLNLGQSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salmoun, M., Braekman, J.C., Ranarivelo, Y., Rasamoelisendra, R., Ralambomanana, D., Dewelle, J., Darro, F., Kiss, R. Nat Prod Res (2007) 21, 111-20
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 142 |
| 2 (CH) | 113 |
| 3 (C) | 151.5 |
| 4 (C) | 120.8 |
| 5 (CH) | 130.5 |
| 6 (C) | 132 |
| 7 (CH) | 43.1 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 30.8 |
| 10 (CH) | 32.6 |
| 11 (CH) | 31.9 |
| 12 (CH3) | 17.2 |
| 13 (CH3) | 21.2 |
| 14 (CH3) | 15.6 |
| 15 (CH3) | 22.2 |
