Spektraris NMR
2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol
Common Name: 2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol
Synonyms: 2-Methyl-5beta-isopropyl-1beta,2alpha,3beta,4beta-cyclohexanetetraol
CAS Registry Number:
InChI: InChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7-,8+,9+,10+/m1/s1
InChIKey: InChIKey=YFASMKQYOXGOCQ-ZJDVBMNYSA-N
Formula: C10H20O4
Molecular Weight: 204.263794
Exact Mass: 204.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, H.X., Li, Y., Pan, J., Gao, K. Helv Chim Acta (2006) 89, 558-66
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 74.3 |
| 2 (CH) | 77.8 |
| 3 (CH) | 70.4 |
| 4 (CH) | 43.5 |
| 5 (CH2) | 32.7 |
| 6 (CH) | 66.9 |
| 7 (CH3) | 20.6 |
| 8 (CH) | 27.8 |
| 9 (CH3) | 21.2 |
| 10 (CH3) | 21.2 |
