(2R,5R,8S,8αR)-1,2,3,5,6,7,8,8α-Octahydro-5-hydroxy-8,8α-dimethyl-3-oxonaphthalen-2-yl Acetate

(2R,5R,8S,8αR)-1,2,3,5,6,7,8,8α-Octahydro-5-hydroxy-8,8α-dimethyl-3-oxonaphthalen-2-yl Acetate

Common Name: (2R,5R,8S,8αR)-1,2,3,5,6,7,8,8α-Octahydro-5-hydroxy-8,8α-dimethyl-3-oxonaphthalen-2-yl Acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H20O4/c1-8-4-5-11(16)10-6-12(17)13(18-9(2)15)7-14(8,10)3/h6,8,11,13,16H,4-5,7H2,1-3H3/t8-,11+,13+,14+/m0/s1

InChIKey: InChIKey=VALKJGMEKDUNBP-UBVLEBKSSA-N

Formula: C14H20O4

Molecular Weight: 252.306737

Exact Mass: 252.136159

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, P.L., Jia, Z.J. Helv Chim Acta (2008) 91, 1717-27

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) 73
2 (CH2) 33.1
3 (CH2) 30
4 (CH) 43.8
5 (C) 40.8
6 (CH2) 43.1
7 (CH) 71.7
8 (C) 194.9
9 (CH) 124.8
10 (C) 170.5
14 (CH3) 15.2
15 (CH3) 19
7a (C) 170.5
7b (CH3) 21.1