(4aS)-3-(1-Methyl-2-hydroxyethyl)-4abeta,5beta-dimethyl-8beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

(4aS)-3-(1-Methyl-2-hydroxyethyl)-4abeta,5beta-dimethyl-8beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

Common Name: (4aS)-3-(1-Methyl-2-hydroxyethyl)-4abeta,5beta-dimethyl-8beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

Synonyms: (4aS)-3-(1-Methyl-2-hydroxyethyl)-4abeta,5beta-dimethyl-8beta-hydroxy-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-9(8-16)11-7-15(3)10(2)4-5-13(17)12(15)6-14(11)18/h6-7,9-10,13,16-17H,4-5,8H2,1-3H3/t9?,10-,13+,15+/m0/s1

InChIKey: InChIKey=WVUKSFFMVHSMJD-HIQSBDGRSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

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) 73.7
2 (CH2) 35.1
3 (CH2) 25.3
4 (CH) 41.9
5 (C) 44
6 (CH) 153.4
7 (C) 138.8
8 (C) 187.9
9 (CH) 126.1
10 (C) 166.4
11 (CH) 34.7
12 (CH2) 67.6
13 (CH3) 16
14 (CH3) 19.1
15 (CH3) 16.4