Spektraris NMR
(2S,4aS)-2-Isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenol
Common Name: (2S,4aS)-2-Isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-11(2)15(16)9-8-14(4)7-5-6-12(3)13(14)10-15/h11,16H,5-10H2,1-4H3/t14-,15-/m0/s1
InChIKey: InChIKey=DVNBUBRLFDGNRU-GJZGRUSLSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Arteaga, P., Quilez, J.F., Rodriguez, I., Herrador, M.M. J Nat Prod (1997) 60, 1026-30
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 39.9 |
| 2 (CH2) | 19 |
| 3 (CH2) | 32.9 |
| 4 (C) | 126.8 |
| 5 (C) | 132.6 |
| 6 (CH2) | 38.3 |
| 7 (C) | 75.6 |
| 8 (CH2) | 32.8 |
| 9 (CH2) | 37.1 |
| 10 (C) | 29.9 |
| 11 (CH) | 44.2 |
| 12 (CH3) | 16.6 |
| 13 (CH3) | 16.1 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 25.1 |
