Spektraris NMR
2,7-dihydroxy-11,12-dehydrocalamenene
Common Name: 2,7-dihydroxy-11,12-dehydrocalamenene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7,10-11,15-17H,1,6H2,2-4H3/t10-,11+,15-/m1/s1
InChIKey: InChIKey=OOQATJJYWGXKAO-JRPNMDOOSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Gao, X.M., Lei, C., Xiao, W.L., Wang, R.R., Yang, L.B., Zhao, Y., Li, L.M., Huang, S.X., Zheng, Y.T., Sun, H.D. Chem Pharm Bull (2008) 56, 1143-6
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) | 139.8 |
| 2 (CH) | 115.3 |
| 3 (C) | 154.9 |
| 4 (C) | 123.4 |
| 5 (CH) | 131.7 |
| 6 (C) | 128.3 |
| 7 (CH) | 44.7 |
| 8 (CH2) | 33.1 |
| 9 (CH) | 71.7 |
| 10 (CH) | 41.9 |
| 11 (C) | 150.3 |
| 12 (CH2) | 113.9 |
| 13 (CH3) | 19.7 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 21.8 |
