(4aS,5R,8R,8aS)-1,4a,5,7,8,8a-Hexahydro-4a,5-dihydroxy-5-isopropyl-3,8-dimethylnaphthalene-2,6-dione

(4aS,5R,8R,8aS)-1,4a,5,7,8,8a-Hexahydro-4a,5-dihydroxy-5-isopropyl-3,8-dimethylnaphthalene-2,6-dione

Common Name: (4aS,5R,8R,8aS)-1,4a,5,7,8,8a-Hexahydro-4a,5-dihydroxy-5-isopropyl-3,8-dimethylnaphthalene-2,6-dione

Synonyms: (4aS,5R,8R,8aS)-1,4a,5,7,8,8a-Hexahydro-4a,5-dihydroxy-5-isopropyl-3,8-dimethylnaphthalene-2,6-dione

CAS Registry Number:

InChI: InChI=1S/C15H22O4/c1-8(2)15(19)13(17)5-9(3)11-6-12(16)10(4)7-14(11,15)18/h7-9,11,18-19H,5-6H2,1-4H3/t9-,11+,14-,15+/m1/s1

InChIKey: InChIKey=UBJXFLRRWCBXGH-QFEPDWEUSA-N

Formula: C15H22O4

Molecular Weight: 266.333355

Exact Mass: 266.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhao, X., Zheng, G.W., Niu, X.M., Li, W.Q., Wang, F.S., Li, S.H. J Agric Food Chem (2009) 57, 478-82

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 (CH) 41.1
2 (CH2) 42.8
3 (C) 197.2
4 (C) 141.3
5 (CH) 141.8
6 (C) 70.9
7 (C) 72.5
8 (C) 207.2
9 (CH2) 43.3
10 (CH) 39
11 (CH) 28.9
12 (CH3) 17.1
13 (CH3) 18.4
14 (CH3) 15.9
15 (CH3) 21.1