Spektraris NMR
(8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one
Common Name: (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one
Synonyms: (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-10-5-8-13(16)12-7-6-11(14(2,3)17)9-15(10,12)4/h10-12,17H,5-9H2,1-4H3/t10-,11-,12+,15+/m1/s1
InChIKey: InChIKey=ZGRPWWDOSQIIIF-FJJYHAOUSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
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 (C) | 213.1 |
| 2 (CH2) | 41.2 |
| 3 (CH2) | 31.3 |
| 4 (CH) | 42.7 |
| 5 (C) | 41.7 |
| 6 (CH2) | 39.2 |
| 7 (CH) | 43 |
| 8 (CH2) | 26 |
| 9 (CH2) | 20.5 |
| 10 (CH) | 57.7 |
| 11 (C) | 72.6 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 26.9 |
| 14 (CH3) | 12 |
| 15 (CH3) | 14.5 |
