(4aalpha)-3-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one

(4aalpha)-3-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one

Common Name: (4aalpha)-3-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one

Synonyms: (4aalpha)-3-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-10-6-5-7-15(4)12(10)8-11(9-13(15)16)14(2,3)17/h9,12,17H,1,5-8H2,2-4H3/t12-,15-/m0/s1

InChIKey: InChIKey=QDJLGPYYUWPGPQ-WFASDCNBSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, H.X., Liu, C.M., Liu, Q., Gao, K. Phytochemistry (2008) 69, 2088-94

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) 36
2 (CH2) 22.8
3 (CH2) 32.7
4 (C) 148.2
5 (CH) 45.8
6 (CH2) 25.4
7 (C) 167
8 (CH) 120.3
9 (C) 202.3
10 (C) 45.7
11 (C) 72.8
12 (CH3) 28.8
13 (CH3) 28.7
14 (CH3) 15.2
15 (CH2) 108.1