rac-(3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-indene-4-carboxylic acid methyl ester

rac-(3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-indene-4-carboxylic acid methyl ester

Common Name: rac-(3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-indene-4-carboxylic acid methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O2/c1-10(2)11-7-9-15(3)8-5-6-12(15)13(11)14(16)17-4/h10-13H,5-9H2,1-4H3/t11-,12-,13+,15+/m0/s1

InChIKey: InChIKey=CVCPBSPEZNWHAK-RMRHIDDWSA-N

Formula: C15H26O2

Molecular Weight: 238.366308

Exact Mass: 238.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Findley, T.J.K., Sucunza, D., Miller, L.C., Davies, D.T., Procter, D.J. Chem Eur J (2008) 14, 6862-5

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 (CH2) 41.7
2 (CH2) 20.3
3 (CH2) 30.7
4 (C) 175.8
5 (CH) 47.1
6 (CH) 43.4
7 (CH) 41.1
8 (CH2) 22.7
9 (CH2) 33.2
10 (C) 39.5
11 (CH) 28.9
12 (CH3) 21.8
13 (CH3) 21.2
14 (CH3) 25.8
4a (CH3) 51