CAS No.39432-56-9,Eleutheroside E Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39432-56-9
Name:	Eleutheroside E
Article Data:	1

Formula:	C₃₄H₄₆O₁₈
Molecular Weight:	742.728
Synonyms:	b-D-Glucopyranoside,(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene)bis-, [1R-(1a,3ab,4b,6aa)]-;(2R,3S,4R,5R,6S)-2-[4-[4-[3,5-Dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;
EINECS:	609-679-3
Density:	1.474 g/cm³
Melting Point:	255 - 260oC
Boiling Point:	935.7 °C at 760 mmHg
Flash Point:	519.7 °C
Appearance:	colourless microcrystalline powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	24/25
PSA:	254.14000
LogP:	-1.84640

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Specification

The Eleutheroside E, with CAS registry number 39432-56-9, belongs to the following product category: Coumarins. It has the systematic name of 4-{4-[4-(β-L-glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-dimethoxyphenyl β-D-glucopyranoside. And the chemical formula of this chemical is C₃₄H₄₆O_18.

Physical properties of Eleutheroside E: (1)ACD/LogP: -3.91; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.91; (4)ACD/LogD (pH 7.4): -3.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 18; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 166.14 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 175.94 cm³; (15)Molar Volume: 503.5 cm³; (16)Polarizability: 69.75×10^-24cm³; (17)Surface Tension: 61.7 dyne/cm; (18)Enthalpy of Vaporization: 142.62 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@H]6Oc1c(OC)cc(cc1OC)C2OCC5C2COC5c4cc(OC)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(OC)c4)CO
(2)InChI: InChI=1/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15?,16?,21-,22+,23-,24+,25+,26-,27-,28+,29?,30?,33+,34-
(3)InChIKey: FFDULTAFAQRACT-RGFZIUCCBL
(4)Std. InChI: InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15?,16?,21-,22+,23-,24+,25+,26-,27-,28+,29?,30?,33+,34-
(5)Std. InChIKey: FFDULTAFAQRACT-RGFZIUCCSA-N