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ChemicalBook--->CAS DataBase List--->142796-22-3

142796-22-3

142796-22-3 Structure

142796-22-3 Structure
IdentificationBack Directory
[Name]

(2R,3R)-3,5,7-Trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[1,4]dioxin-6-yl]-4-chromanone
[CAS]

142796-22-3
[Synonyms]

Isosilybin B
Isosilybin B,ISB-B
Isosilybin B/(-)-Isosilybin B,Silybin a2
(2R,3R)-3,5,7-Trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[1,4]dioxin-6-yl]-4-chromanone
4H-1-Benzopyran-4-one, 2-[(2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
[Molecular Formula]

C25H22O10
[MDL Number]

MFCD18783097
[MOL File]

142796-22-3.mol
[Molecular Weight]

482.44
Chemical PropertiesBack Directory
[Melting point ]

194-196 °C(Solv: methanol (67-56-1))
[Boiling point ]

793.0±60.0 °C(Predicted)
[density ]

1.527±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO
[form ]

neat
[pka]

7.39±0.60(Predicted)
[color ]

White to off-white
[InChIKey]

FDQAOULAVFHKBX-WAABAYLZSA-N
[SMILES]

[C@H]1(C2=CC=C3O[C@@H](C4=CC=C(O)C(OC)=C4)[C@H](CO)OC3=C2)OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Isosilybin B is one of the flavonolignans extracted from the seeds of milk thistle. Isosilybin B was the most consistently potent suppressor of cell growth. Isosilybin A (I901002) and isosilybin B were also the most effective suppressors of prostate-?specific antigen secretion by androgen-?dependent LNCaP cells.
[storage]

Store at -20°C
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72581-71-6 123-95-5 76-59-5 115687-05-3 142796-21-2

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