4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one

4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one

Common Name: 4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one

Synonyms: 4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3/t10-,12-,14+,15+/m1/s1

InChIKey: InChIKey=DJPISZPEZJGKKI-DWZYQQQCSA-N

Formula: C15H24O3

Molecular Weight: 252.349831

Exact Mass: 252.172545

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Han, Y.F., Pan, J., Gao, K., Jia, Z.J. Chem Pharm Bull (2005) 53, 1338-41

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) 124.5
2 (C) 199.8
3 (CH2) 42
4 (CH) 40.6
5 (C) 39.2
6 (CH2) 38.6
7 (CH) 39.2
8 (CH2) 27.9
9 (CH2) 32.9
10 (C) 170.8
11 (C) 74.2
12 (CH2) 68.4
13 (CH3) 19.9
14 (CH3) 16.8
15 (CH3) 15