Spektraris NMR

Common Name: 2-[(2S,4S,6R)-5-(1-Carboxy-1-hydroxyethyl)-4,6-dihydroxy-2-methyl-2-vinylcyclohexyl]acrylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O7/c1-5-14(3)6-8(16)10(15(4,22)13(20)21)11(17)9(14)7(2)12(18)19/h5,8-11,16-17,22H,1-2,6H2,3-4H3,(H,18,19)(H,20,21)/t8-,9+,10?,11+,14+,15?/m0/s1

InChIKey: InChIKey=OIVNJISRNHOMGU-DSAGUZPRSA-N

Formula: C15H22O7

Molecular Weight: 314.33157

Exact Mass: 314.136553

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Braca, A., De Tommasi, N., Morelli, I.I., Pizza, C. J Nat Prod (1999) 62, 1371-5

Species:

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