rac-1-((3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-inden-4-yl)ethanone

rac-1-((3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-inden-4-yl)ethanone

Common Name: rac-1-((3aS,4R,5S,7aR)-5-Isopropyl-7a-methyl-octahydro-1H-inden-4-yl)ethanone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3/t12-,13-,14+,15+/m0/s1

InChIKey: InChIKey=SSCVGFQOFLDIGI-BYNSBNAKSA-N

Formula: C15H26O1

Molecular Weight: 222.366903

Exact Mass: 222.198365

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) 41.9
2 (CH2) 20.2
3 (CH2) 31
4 (C) 211.6
5 (CH) 45.4
6 (CH) 51.2
7 (CH) 41.7
8 (CH2) 23
9 (CH2) 33.1
10 (C) 40
11 (CH) 28.4
12 (CH3) 21.9
13 (CH3) 21.5
14 (CH3) 25.8
15 (CH3) 29.7