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Enterodiol
[CAS 80226-00-2]

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Identification
Classification Biochemical >> Chinese herbal medicine ingredients
Name Enterodiol
Synonyms (2R,3R)-2,3-Bis(3-Hydroxybenzyl)Butane-1,4-Diol; Enterodiol; Arbo 9
Molecular Structure CAS#: 80226-00-2, Enterodiol
Molecular Formula C18H22O4
Molecular Weight 302.37
CAS Registry Number 80226-00-2
SMILES [C@H]([C@@H](CC1=CC=CC(=C1)O)CO)(CC2=CC=CC(=C2)O)CO
InChI 1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
InChIKey DWONJCNDULPHLV-HOTGVXAUSA-N
Properties
Density 1.251g/cm3 (Cal.)
Boiling point 554.881°C at 760 mmHg (Cal.)
Flash point 262.485°C (Cal.)
References
(1) Jinguo Kang and William E. Price. Occurrence of phytoestrogens in municipal wastewater and surface waters, J. Environ. Monit., 2009, 11, 1477.
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