Spektraris NMR

Common Name: 2-Acetyl-3abeta-methyl-3a,6,7,7abeta-tetrahydro-1H-inden-4-oic acid methyl ester

Synonyms: 2-Acetyl-3abeta-methyl-3a,6,7,7abeta-tetrahydro-1H-inden-4-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C14H18O3/c1-9(15)10-7-11-5-4-6-12(13(16)17-3)14(11,2)8-10/h6,8,11H,4-5,7H2,1-3H3/t11-,14+/m1/s1

InChIKey: InChIKey=FDIMCRDSRBAVOQ-RISCZKNCSA-N

Formula: C14H18O3

Molecular Weight: 234.291451

Exact Mass: 234.125594

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fei, D.Q., Li, S.G., Liu, C.M., Wu, G., Gao, K. J Nat Prod (2007) 70, 241-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Fukinanes; 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)