(3S,3aalpha)-3alpha-Hydroxy-5alpha,7aalpha-dimethylhydrindane-4alpha-carboxylic acid methyl ester

(3S,3aalpha)-3alpha-Hydroxy-5alpha,7aalpha-dimethylhydrindane-4alpha-carboxylic acid methyl ester

Common Name: (3S,3aalpha)-3alpha-Hydroxy-5alpha,7aalpha-dimethylhydrindane-4alpha-carboxylic acid methyl ester

Synonyms: (3S,3aalpha)-3alpha-Hydroxy-5alpha,7aalpha-dimethylhydrindane-4alpha-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C13H22O3/c1-8-4-6-13(2)7-5-9(14)11(13)10(8)12(15)16-3/h8-11,14H,4-7H2,1-3H3/t8-,9+,10-,11+,13+/m1/s1

InChIKey: InChIKey=RVQFXSSVSFOTDH-OQEOFVATSA-N

Formula: C13H22O3

Molecular Weight: 226.312478

Exact Mass: 226.156895

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 (CH2) 36.6
2 (CH2) 31.9
3 (CH) 79.6
4 (C) 175.8
5 (CH) 52.5
6 (CH) 46.7
7 (CH) 29.9
8 (CH2) 27.2
9 (CH2) 31.5
10 (C) 39.7
12 (CH3) 15.5
14 (CH3) 28.9
4a (CH3) 51.5