rac-(3aS,4R,5S,7aR)-methyl 5-isopropyl-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate

rac-(3aS,4R,5S,7aR)-methyl 5-isopropyl-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate

Common Name: rac-(3aS,4R,5S,7aR)-methyl 5-isopropyl-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H24O3/c1-9(2)10-7-8-15(3)11(5-6-12(15)16)13(10)14(17)18-4/h9-11,13H,5-8H2,1-4H3/t10-,11-,13+,15+/m0/s1

InChIKey: InChIKey=ZEZIATZTIOAOHJ-HTTKSJEASA-N

Formula: C15H24O3

Molecular Weight: 252.349831

Exact Mass: 252.172545

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Findley, T.J., Sucunza, D., Miller, L.C., Helm, M.D., Helliwell, M., Davies, D.T., Procter, D.J. Org Biomol Chem (2011) 9, 2433-51

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isoiphionanes; 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) 222
2 (CH2) 35.4
3 (CH2) 24.1
4 (C) 174.9
5 (CH) 45.1
6 (CH) 43.6
7 (CH) 41.4
8 (CH2) 28.9
9 (CH2) 21.9
10 (C) 47.1
11 (CH) 28.8
12 (CH3) 21.1
13 (CH3) 21.6
14 (CH3) 20.4
4a (CH3) 51.3