Spektraris NMR
6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol
Common Name: 6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol
Synonyms: 6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-10-5-6-12(16)15(18)8-7-11(13(2,3)17)9-14(10,15)4/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12+,14+,15-/m1/s1
InChIKey: InChIKey=OCOXBRHAPZDTPL-RKEKIRQTSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Arantes, S.F., Hanson, J.R., Hitchcock, P.B. Phytochemistry (1999) 52, 1063-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 75.8 |
| 2 (CH2) | 32.7 |
| 3 (CH2) | 26.8 |
| 4 (CH) | 35.3 |
| 5 (C) | 39.8 |
| 6 (CH2) | 34.8 |
| 7 (CH) | 43.9 |
| 8 (CH2) | 22.4 |
| 9 (CH2) | 30.4 |
| 10 (C) | 73.6 |
| 11 (C) | 71.9 |
| 12 (CH3) | 27.5 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 15.7 |
| 15 (CH3) | 16.2 |
