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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O3/c1-9(2)10-5-7-15(3)8-6-11(16)13(15)12(10)14(17)18-4/h9-13,16H,5-8H2,1-4H3/t10-,11-,12+,13-,15-/m0/s1

InChIKey: InChIKey=SEFSYNQKBSRLTA-AIUMHDJVSA-N

Formula: C15H26O3

Molecular Weight: 254.365713

Exact Mass: 254.188195

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) 39.1
2 (CH2) 31.4
3 (CH) 76.8
4 (C) 175.5
5 (CH) 56.5
6 (CH) 41.4
7 (CH) 41.7
8 (CH2) 22.5
9 (CH2) 35.1
10 (C) 38.8
11 (CH) 29.1
12 (CH3) 21.1
13 (CH3) 21.6
14 (CH3) 26.4
4a (CH3) 51.1