(Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-(1-hydroperoxy-1-methylethyl)-1,2,3,4,6,8a-hexahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

(Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-(1-hydroperoxy-1-methylethyl)-1,2,3,4,6,8a-hexahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

Common Name: (Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-(1-hydroperoxy-1-methylethyl)-1,2,3,4,6,8a-hexahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

Synonyms: (Z)-2-Methyl-2-butenoic acid (1R)-4beta-hydroxy-7-(1-hydroperoxy-1-methylethyl)-1,2,3,4,6,8a-hexahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H28O6/c1-7-11(2)18(23)25-17-9-16(22)13-8-15(21)14(19(4,5)26-24)10-20(13,6)12(17)3/h7-8,10,12,16-17,22,24H,9H2,1-6H3/b11-7-/t12-,16+,17-,20+/m0/s1

InChIKey: InChIKey=QYBOEYZNFHEAHE-XSBSUDOJSA-N

Formula: C20H28O6

Molecular Weight: 364.433489

Exact Mass: 364.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Arciniegas, A., Perez-Castorena, A.L., Reyes, S., Contreras, J.L., De Vivar, A.R. J Nat Prod (2003) 66, 225-9

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) 72.3
2 (CH2) 37.9
3 (CH) 72
4 (CH) 42.6
5 (C) 42.1
6 (CH) 152
7 (C) 137.9
8 (C) 185.8
9 (CH) 127.4
10 (C) 162.7
11 (C) 82.5
12 (CH3) 24.7
13 (CH3) 24.1
14 (CH3) 20.8
15 (CH3) 12.4
3a (C) 167.1
3b (C) 127.2
3c (CH) 138.2
3d (CH3) 15.6
3e (CH3) 20.8