2,4-Dihydroxy-2-(2-hydroxyethyl)cyclohex-5-en-1-one

2,4-Dihydroxy-2-(2-hydroxyethyl)cyclohex-5-en-1-one

Common Name: 2,4-Dihydroxy-2-(2-hydroxyethyl)cyclohex-5-en-1-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C8H12O4/c9-4-3-8(12)5-6(10)1-2-7(8)11/h1-2,6,9-10,12H,3-5H2/t6-,8-/m0/s1

InChIKey: InChIKey=ZNHAIJGMZCDGLQ-XPUUQOCRSA-N

Formula: C8H12O4

Molecular Weight: 172.178796

Exact Mass: 172.073559

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Braca, A., De Tommasi, N., Di Bari, L., Pizza, C., Politi, M., Morelli, I. J Nat Prod (2001) 64, 892-5

Species:

Notes: Family : Aliphatics, Type : Cycloalkanes; 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 (C) 199
2 (C) 75.3
3 (CH2) 40.5
4 (CH) 82.3
5 (CH) 150.7
6 (CH) 128.8
1' (CH2) 40.7
2' (CH2) 67.1