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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C17H22O5/c1-9(16(20)21)13-8-17(4)10(2)15(22-11(3)18)6-5-12(17)7-14(13)19/h7-10,15H,5-6H2,1-4H3,(H,20,21)/t9?,10-,15-,17+/m0/s1

InChIKey: InChIKey=OEZLOMIMJAZQBV-BWDHFJPVSA-N

Formula: C17H22O5

Molecular Weight: 306.354231

Exact Mass: 306.146724

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) 28.1
2 (CH2) 32.7
3 (CH) 73
4 (CH) 42.9
5 (C) 43.8
6 (CH) 151.7
7 (C) 135.6
8 (C) 185.8
9 (CH) 124.2
10 (C) 168.6
11 (CH) 38.9
12 (C) 177
13 (CH3) 15.8
14 (CH3) 20.1
15 (CH3) 12.4
3a (C) 170.3
3b (CH3) 21.2