8aα-hydroxy-1-isopropyl-4,7-dimethyl-1,2,3,4,6,8a-hexahydro-naphthalene-2,6-dione

8aα-hydroxy-1-isopropyl-4,7-dimethyl-1,2,3,4,6,8a-hexahydro-naphthalene-2,6-dione

Common Name: 8aα-hydroxy-1-isopropyl-4,7-dimethyl-1,2,3,4,6,8a-hexahydro-naphthalene-2,6-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-8(2)14-13(17)5-9(3)11-6-12(16)10(4)7-15(11,14)18/h6-9,14,18H,5H2,1-4H3/t9-,14+,15+/m0/s1

InChIKey: InChIKey=SKMPHWBTGUZWES-TZTCFGBESA-N

Formula: C15H20O3

Molecular Weight: 248.318068

Exact Mass: 248.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, L., Yang, J., Cao, A.C., Liu, Y.M., An, Y., Shi, J.G. Chin J Chem (2006) 24, 1375-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (C) 161
2 (CH) 124
3 (C) 186.9
4 (C) 134.7
5 (CH) 145.6
6 (C) 73.6
7 (CH) 68.1
8 (C) 208.9
9 (CH2) 46.2
10 (CH) 31.9
11 (CH) 27
12 (CH3) 20.7
13 (CH3) 24.4
14 (CH3) 15.2
15 (CH3) 17