Spektraris NMR
4a,5,6,7,8,8abeta-Hexahydro-3-(1-hydroxyethyl)-4abeta,5beta-dimethylnaphthalene-2(1H)-one
Common Name: 4a,5,6,7,8,8abeta-Hexahydro-3-(1-hydroxyethyl)-4abeta,5beta-dimethylnaphthalene-2(1H)-one
Synonyms: 4a,5,6,7,8,8abeta-Hexahydro-3-(1-hydroxyethyl)-4abeta,5beta-dimethylnaphthalene-2(1H)-one
CAS Registry Number:
InChI: InChI=1S/C14H22O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-11,15H,4-7H2,1-3H3/t9-,10?,11+,14+/m0/s1
InChIKey: InChIKey=YAQFZWZUAZKHAL-YOAKMLQDSA-N
Formula: C14H22O2
Molecular Weight: 222.323809
Exact Mass: 222.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Goto, Y., Kojima, Y., Nakayama, T., Terazawa, M. Phytochemistry (2001) 57, 103-13
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 (CH2) | 22.2 |
| 2 (CH2) | 20.6 |
| 3 (CH2) | 27.1 |
| 4 (CH) | 35.8 |
| 5 (C) | 38.8 |
| 6 (CH) | 155.9 |
| 7 (C) | 139.1 |
| 8 (C) | 201.9 |
| 9 (CH2) | 40.1 |
| 10 (CH) | 39.8 |
| 11 (CH) | 66.9 |
| 13 (CH3) | 30.3 |
| 14 (CH3) | 20.6 |
| 15 (CH3) | 16.2 |
