Spektraris NMR
4alpha-methylcadinane-1alpha,2alpha,10alpha triol
Common Name: 4alpha-methylcadinane-1alpha,2alpha,10alpha triol
Synonyms: 4alpha-methylcadinane-1alpha,2alpha,10alpha triol
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-9(2)11-5-6-14(4,17)15(18)12(11)7-10(3)8-13(15)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11-,12-,13-,14+,15+/m0/s1
InChIKey: InChIKey=NOMPOPNILJKBDF-GXYBRJDSSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, K., Zeng, L., Shi, G., Zhao, G.X., Kozlowski, J.F., McLaughlin, J.L. J Nat Prod (1997) 60, 38-40
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 72.1 |
| 2 (CH) | 74 |
| 3 (CH2) | 28.7 |
| 4 (CH) | 41 |
| 5 (CH2) | 30.3 |
| 6 (CH) | 42.7 |
| 7 (CH) | 37.3 |
| 8 (CH2) | 23.7 |
| 9 (CH2) | 32.1 |
| 10 (C) | 74.7 |
| 11 (CH) | 25.5 |
| 12 (CH3) | 15 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 14.1 |
| 15 (CH3) | 28.2 |
