CAS No.84687-42-3,Astragaloside III Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84687-42-3
Name:	Astragaloside III
Article Data:	2

Formula:	C₄₁H₆₈O₁₄
Molecular Weight:	784.983
Synonyms:	β-D-Xylopyranoside,(3β,6α,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-;
Density:	1.39 g/cm³
Melting Point:	245～247℃
Boiling Point:	906.8 °C at 760 mmHg
Flash Point:	502.2 °C
PSA:	228.22000
LogP:	0.72410

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Specification

The systematic name of Astragaloside III is (3β,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside. With the CAS registry number 84687-42-3, it is also named as β-D-Xylopyranoside,(3β,6α,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-β-D-glucopyranosyl-. The product's category is the group of Astralosides. In addition, its molecular formula is C₄₁H₆₈O₁₄ and molecular weight is 784.97.

The other characteristics of Astragaloside III can be summarized as: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 14; (4)#H bond donors: 9; (5)#Freely Rotating Bonds: 16; (6)Polar Surface Area: 129.22 Å²; (7)Index of Refraction: 1.62; (8)Molar Refractivity: 197.78 cm³; (9)Molar Volume: 562.5 cm³; (10)Polarizability: 78.4×10^-24cm³; (11)Surface Tension: 70.9 dyne/cm; (12)Density: 1.39 g/cm³; (13)Flash Point: 502.2 °C; (14)Enthalpy of Vaporization: 149.67 kJ/mol; (15)Boiling Point: 906.8 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O[C@@H]8[C@@H](O)[C@H](O)[C@H](O[C@H]8O[C@@H]7[C@@H](O)[C@H](O)CO[C@H]7O[C@H]4CC[C@@]56C[C@]36[C@H]([C@]2([C@]([C@@H]([C@@]1(O[C@@H](CC1)C(O)(C)C)C)[C@@H](O)C2)(C)CC3)C)C[C@H](O)[C@H]5C4(C)C)CO
(2)InChI: InChI=1/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1
(3)InChIKey: FVFSMBDVZVUETN-BQAOMNQWBE