Spektraris NMR
(7S,10S)-3,12-dihydroxycalamenene
Common Name: (7S,10S)-3,12-dihydroxycalamenene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t9-,11?,12-/m0/s1
InChIKey: InChIKey=JZRBLGYAAXGCNI-VAGKLZBCSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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) | 142.1 |
| 2 (CH) | 114.6 |
| 3 (C) | 151.6 |
| 4 (C) | 121.1 |
| 5 (CH) | 130.2 |
| 6 (C) | 125.8 |
| 7 (CH) | 38.1 |
| 8 (CH2) | 19.9 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 32.4 |
| 11 (CH) | 39.3 |
| 12 (CH2) | 66.8 |
| 13 (CH3) | 12.5 |
| 14 (CH3) | 23.2 |
| 15 (CH3) | 15.5 |
