[1,1'-Biphenyl]-3-carboxylicacid, 5'-[7-(b-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl]-2',4-dihydroxy-,intramol. 3,6'''-ester (9CI)

Modify Date: 2025-09-19 07:23:22

[1,1'-Biphenyl]-3-carboxylicacid, 5'-[7-(b-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl]-2',4-dihydroxy-,intramol. 3,6'''-ester (9CI) structure	Common Name	[1,1'-Biphenyl]-3-carboxylicacid, 5'-[7-(b-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl]-2',4-dihydroxy-,intramol. 3,6'''-ester (9CI)
	CAS Number	39262-30-1	Molecular Weight	566.51000
	Density	1.559g/cm3	Boiling Point	963.6ºC at 760 mmHg
	Molecular Formula	C₂₉H₂₆O₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	322.5ºC

Name	5'-[7-(.β.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-HYDROXY-6-METHYL-4-OXO-2H-1-BENZOPYRAN-2-YL]-2',4-DIHYDROXY[1,1'-BIPHENYL]-3-CARBOXYLIC ACID, INTRAMOL. 3,6'''-ESTER

Density	1.559g/cm3
Boiling Point	963.6ºC at 760 mmHg
Molecular Formula	C₂₉H₂₆O₁₂
Molecular Weight	566.51000
Flash Point	322.5ºC
Exact Mass	566.14200
PSA	192.44000
LogP	1.84210
Index of Refraction	1.684
InChIKey	MIOHHCVOLDOCCT-UHFFFAOYSA-N
SMILES	Cc1c2cc3c(c1O)C(=O)CC(O3)c1ccc(O)c(c1)-c1ccc(O)c(c1)C(=O)OCC1OC(O2)C(O)C(O)C1O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DV2037000

CHEMICAL NAME :: (1,1'-Biphenyl)-3-carboxylic acid, 2',4-dihydroxy-5'-(7-(beta-D-glucopyranosyloxy)-3,4- dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl )-, intramol. 3,6'''-ester

CAS REGISTRY NUMBER :: 39262-30-1

LAST UPDATED :: 198909

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C29-H26-O12

MOLECULAR WEIGHT :: 566.55

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TELEAY Tetrahedron Letters. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) 1959- Volume(issue)/page/year: (30),3071,1972

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