2-[(7S)-3,5,6,7,8,8a-Hexahydro-7alpha-[(Z)-2-methyl-2-butenoyloxy]-3-oxo-8alpha,8aalpha-dimethylnaphthalen-2-yl]propanoic acid

2-[(7S)-3,5,6,7,8,8a-Hexahydro-7alpha-[(Z)-2-methyl-2-butenoyloxy]-3-oxo-8alpha,8aalpha-dimethylnaphthalen-2-yl]propanoic acid

Common Name: 2-[(7S)-3,5,6,7,8,8a-Hexahydro-7alpha-[(Z)-2-methyl-2-butenoyloxy]-3-oxo-8alpha,8aalpha-dimethylnaphthalen-2-yl]propanoic acid

Synonyms: 2-[(7S)-3,5,6,7,8,8a-Hexahydro-7alpha-[(Z)-2-methyl-2-butenoyloxy]-3-oxo-8alpha,8aalpha-dimethylnaphthalen-2-yl]propanoic acid

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-6-11(2)19(24)25-17-8-7-14-9-16(21)15(12(3)18(22)23)10-20(14,5)13(17)4/h6,9-10,12-13,17H,7-8H2,1-5H3,(H,22,23)/b11-6-/t12?,13-,17-,20+/m0/s1

InChIKey: InChIKey=CENJORXVTUKGSL-DJVZJRQJSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24

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 (CH2) 28.2
2 (CH2) 32.7
3 (CH) 72.3
4 (CH) 42.9
5 (C) 43.8
6 (CH) 151.8
7 (C) 135.7
8 (C) 185.9
9 (CH) 124.1
10 (C) 168.7
11 (CH) 38.9
12 (C) 177.1
13 (CH3) 15.7
14 (CH3) 20.2
15 (CH3) 12.5
3a (C) 167.2
3b (C) 127.5
3c (CH) 139.2
3d (CH3) 20.9
3ba (CH3) 15.8