CAS No.66176-93-0,CIMICIFUGOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66176-93-0
Name:	CIMICIFUGOSIDE

Formula:	C₃₇H₅₄O₁₁
Molecular Weight:	674.8181
Synonyms:	Cimicifugoside;
Density:	1.38 g/cm³
Appearance:	White powder
PSA:	156.67000
LogP:	2.94870

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Specification

The Cimicifugoside ,its cas register number is 66176-93-0.It also can be called as beta-D-Xylopyranoside, (3beta,12beta,16beta)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl and the Systematic name about this chemicals is (4aR,7S,7aR,7bR,8R,11aS,12aS)-4'-hydroxy-1,1,5',7a,8,12a-hexamethyl-2-(beta-D-xylopyranosyloxy)-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno [2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate .It belongs to the Miscellaneous Natural Products. This chemicals is a white powder, it can be used as triterpene xyloside from Cimicifuga simplex and nucleoside transport inhibitor.

Following are the chemical properties about Cimicifugoside :(1)#H bond acceptors: 11 ; (2)#H bond donors: 4 ; (3)#Freely Rotating Bonds: 8 ; (4)Polar Surface Area: 112.Å ; (5)Index of Refraction: 1.619 ; (6)Molar Refractivity: 171.17 cm³ ; (7)Molar Volume: 487.3 cm³ ; (8)Surface Tension: 63.4 dyne/cm .

This chemicals can be described computed from structure:
(1)SMILES: O=C(O[C@H]9CC24C(=C/CC3C(C)(C)C(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]34C2)\[C@]8(C)C[C@@H]7OC5(OC(O)C6(OC56)C)C[C@H]([C@@H]7[C@]89C)C)C
(2)InChI: InChI=1/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21?,23?,24+,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36?,37?/m1/s1
(3)InChIKey: XUJMHSCMPCZWOV-NVJMOZEJBJ