Spektraris NMR

Common Name: (1S, 2S)-1, 2, 3-Trihydroxy-1-(3, 4-methylenedioxyphenyl)propane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C10H12O5/c11-4-7(12)10(13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7,10-13H,4-5H2/t7-,10-/m0/s1

InChIKey: InChIKey=FCAZUVCXCGJHMG-XVKPBYJWSA-N

Formula: C10H12O5

Molecular Weight: 212.199673

Exact Mass: 212.068473

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Rahman, A.A., Moon, S.S., Moon, S.-S. Arch Pharm Res (2007) 30, 1374-9

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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)