CAS No.7374-79-0,ELEUTHEROSIDE E1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7374-79-0
Name:	ELEUTHEROSIDE E1
Article Data:	1

Formula:	C₂₈H₃₆O₁₃
Molecular Weight:	580.586
Synonyms:	AcanthosideB (7CI);Glucopyranoside,2,6-dimethoxy-4-[tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl,b-D- (8CI);b-D-Glucopyranoside,2,6-dimethoxy-4-[tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl,[1S-(1a,3aa,4a,6aa)]-;(+)-Syringaresinol 4'-O-b-glucopyranoside;(+)-Syringaresinol O-b-D-glucopyranoside;(+)-Syringaresinol b-D-glucopyranoside;(+)-Syringaresinol b-D-glucoside;
Density:	1.399 g/cm³
Melting Point:	182-183 °C
Boiling Point:	778.5 °C at 760 mmHg
Flash Point:	424.6 °C
Appearance:	White powder
PSA:	174.99000
LogP:	0.68050

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Specification

The IUPAC name of Eleutheroside E1 is (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. With the CAS registry number 7374-79-0, it is also named as Acanthoside B. The product's category is Herb Ingredients. In addition, its molecular formula is C₂₈H₃₆O₁₃ and molecular weight is 580.58.

The other characteristics of Eleutheroside E1 can be summarized as: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.2; (8)ACD/KOC (pH 7.4): 3.19; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 119.99 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 142.12 cm³; (15)Molar Volume: 414.9 cm³; (16)Polarizability: 56.34×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Enthalpy of Vaporization: 118.84 kJ/mol; (19)Vapour Pressure: 1.63E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)cc(cc1OC)[C@H]3OC[C@@H]2[C@H](OC[C@@H]23)c4cc(OC)c(O)c(OC)c4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO;
(2)InChI: InChI=1/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1;
(3)InChIKey: WEKCEGQSIIQPAQ-IRBNZIFYBM;
(4)Std. InChI: InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1;
(5)Std. InChIKey: WEKCEGQSIIQPAQ-IRBNZIFYSA-N