90-75-5 , 6-O-苯甲酰基-D-葡萄糖, CAS:90-75-5

90-75-5, 6-O-Benzoyl-D-glucose,
6-O-苯甲酰基-D-葡萄糖,
CAS:90-75-5
C13H16O7 / 284.26

6-O-Benzoyl-D-glucose，6-O-苯甲酰基-D-葡萄糖

Vacciniin is a natural product found in Vaccinium vitis-idaea and Vaccinium macrocarpon with data available.

Title: Vacciniin

CAS Registry Number: 90-75-5

CAS Name: b-D-Glucopyranose 6-benzoate

Additional Names: 6-benzoyl-D-glucose

Molecular Formula: C13H16O7

Molecular Weight: 284.26

Percent Composition: C 54.93%, H 5.67%, O 39.40%

Literature References: From the berries of Vaccinium vitisidaea L., V. macrocarpum Ait., and V. oxycoccus L., Ericaceae: Griebel, Z. Untersuch. Nahr. Genussm. 19, 241 (1910); Brigl, Zerrweck, Z. Physiol. Chem. 229, 117 (1934). Prepn and chromatography: Bock et al., Nahrung 3, 1036 (1960).

Properties: Crystalline powder from water, mp 120-123°. Bitter taste. [a]D20 +47.4° (c = 3.13 in methanol). Sol in water, alcohol, acetone, methanol; sparingly sol in chloroform, benzene. Practically insol in ether, petr ether.

Melting point: mp 120-123°

Optical Rotation: [a]D20 +47.4° (c = 3.13 in methanol)

Derivative Type: Phenylhydrazone

Properties: Yellow cryst powder from ethanol + water, mp 134-135°.

Melting point: mp 134-135°

Status: This monograph has been retired and is no longer subject to revision or update.

CAS Number	90-75-5
Product Name	Vacciniin
IUPAC Name	[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl benzoate
Molecular Formula	C13H16O7
Molecular Weight	284.26 g/mol
InChI	InChI=1S/C13H16O7/c14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13-/m1/s1
InChI Key	MRDRXKCKIMVUHN-BZNQNGANSA-N
SMILES	C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O
Synonyms	6-O-benzoyl-D-glucopyranoside, vacciniin
Canonical SMILES	C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O
Isomeric SMILES	C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O