CAS No.118-34-3,ELEUTHEROSIDE B Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118-34-3
Name:	ELEUTHEROSIDE B
Article Data:	6

Formula:	C₁₇H₂₄O₉
Molecular Weight:	372.372
Synonyms:	Lilacin;Magnolenin;Methoxyconiferine;NSC 287441;Syringoside;Sinapyl alcohol 4-O-glucoside;Syringin(6CI,7CI,8CI);b-D-Glucopyranoside,4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl, (E)-;Eleutheroside B;Ilexanthin A;Ligustrin;4-(3-Hydroxypropenyl)-2,6-dimethoxyphenyl-D-glucoside;4-[(1E)-3-Hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside;β-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl;β-D-glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl;
EINECS:	202-680-6
Density:	1.415 g/cm³
Melting Point:	192°C
Boiling Point:	642.6 °C at 760 mmHg
Flash Point:	342.4 °C
Safety:	24/25
PSA:	138.07000
LogP:	-1.11200

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Specification

The Syringin (8CI), with the CAS registry number 118-34-3, has the systematic name of 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside. And the molecular formula of this chemical is C₁₇H₂₄O₉. It belongs to the product categories of Cardioglycosides & Glycosides. In addition, it is a phenylpropanoid glycoside.

The physical properties of Syringin (8CI) are as following: (1)ACD/LogP: -1.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.1; (8)ACD/KOC (pH 7.4): 2.1; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 83.07 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 92.74 cm³; (15)Molar Volume: 263 cm³; (16)Polarizability: 36.76×10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.415 g/cm³; (19)Flash Point: 342.4 °C; (20)Enthalpy of Vaporization: 99.67 kJ/mol; (21)Boiling Point: 642.6 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)cc(/C=C/CO)cc1OC)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
(2)InChI: InChI=1/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
(3)InChIKey: QJVXKWHHAMZTBY-GCPOEHJPBY