(1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one

(1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one

Common Name: (1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one

Synonyms: (1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C15H24O3/c1-10-12-8-11(15(3,18)9-16)4-6-14(12,2)7-5-13(10)17/h5,7,10-12,16,18H,4,6,8-9H2,1-3H3/t10-,11+,12-,14-,15?/m0/s1

InChIKey: InChIKey=YKRFZGJYLQEDOH-BHQNCHMUSA-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) 164.9
2 (CH) 126.3
3 (C) 200.3
4 (CH) 54
5 (CH) 47.7
6 (CH2) 22.8
7 (CH) 44.7
8 (CH2) 21.9
9 (CH2) 39.7
10 (C) 37.5
11 (C) 74.3
12 (CH2) 68.1
13 (CH3) 19.2
14 (CH3) 16.5
15 (CH3) 21.8