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611-40-5

611-40-5 Structure

611-40-5 Structure
IdentificationBack Directory
[Name]

Tectoridin
[CAS]

611-40-5
[Synonyms]

Shekanin
Shekkanin
Tectoridin
Belamcandin
TectoridinI
TECTORIDIN (RG)
Tectoridin(Shekanin)
Belamcandin(Tectoridin)
Tectorigenin 7-glucoside
Glycosylated tectorigenin
Tectorigenin 7-O-β-D-glucopyranoside
Tectorigenin 7-O-beta-D-Glucopyranoside
-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-
Tectoridin [Tectorigenin 7-glucoside, Shekanin]
4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone
D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-
7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
[Molecular Formula]

C22H22O11
[MDL Number]

MFCD01662715
[MOL File]

611-40-5.mol
[Molecular Weight]

462.405
Chemical PropertiesBack Directory
[Melting point ]

256-258°
[alpha ]

D20 -29.4° (pyridine)
[Boiling point ]

798.1±60.0 °C(Predicted)
[density ]

1.609±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in methan
[form ]

neat
[pka]

6.10±0.20(Predicted)
[color ]

White to Almost white
[InChIKey]

CNOURESJATUGPN-NOKHNQDYNA-N
[SMILES]

C12OC=C(C3C=CC(O)=CC=3)C(=O)C=1C(O)=C(OC)C(O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)=C2 |&1:21,22,24,25,27,r|
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

DJ3090000
[HS Code ]

29389090
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in methanol, derived from Belamcanda chinensis and Iris truncatula.
[Uses]

Tectoridin is identified as a potent lactate dehydrogenase (LDH) inhibitor.
[Definition]

ChEBI: A glycosyloxyisoflavone that is tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Spectrum DetailBack Directory
[Spectrum Detail]

Tectoridin(611-40-5)1HNMR
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