Spektraris NMR
3,12-Dihydroxycalamenene
Common Name: 3,12-Dihydroxycalamenene
Synonyms: 3,12-Dihydroxycalamenene
CAS Registry Number:
InChI: InChI=1S/C15H18O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h4-7,11,16-17H,8H2,1-3H3
InChIKey: InChIKey=YLPOBZYUCWVVCB-UHFFFAOYSA-N
Formula: C15H18O2
Molecular Weight: 230.302782
Exact Mass: 230.13068
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Silva, G.H., Teles, H.L., Zanardi, L.M., Marx Young, M.C., Eberlin, M.N., Hadad, R., Pfenning, L.H., Costa-Neto, C.M., Castro-Gamboa, I., da Silva Bolzani, V., Araujo, A.R. Phytochemistry (2006) 67, 1964-9
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) | 134.7 |
| 2 (CH) | 106.9 |
| 3 (C) | 155.1 |
| 4 (C) | 127.7 |
| 5 (CH) | 125.9 |
| 6 (C) | 131.3 |
| 7 (C) | 138.6 |
| 8 (CH) | 120.7 |
| 9 (CH) | 126.7 |
| 10 (C) | 128.1 |
| 11 (CH) | 37.7 |
| 12 (CH2) | 69 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 17.2 |
