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80681-45-4

Basic Information
CAS No.: 80681-45-4
Name: CIMIFUGIN BETA-D-GLUCOPYRANOSIDE
Molecular Structure:
Molecular Structure of 80681-45-4 (CIMIFUGIN BETA-D-GLUCOPYRANOSIDE)
Formula: C22H28O11
Molecular Weight: 468.458
Synonyms: 5H-Furo[3,2-g][1]benzopyran-5-one,7-[(b-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-,(S)-;prim-O-Glucosylcimifugin;
Density: 1.538g/cm3
Melting Point: 118~120℃
Boiling Point: 736.861 °C at 760 mmHg
Flash Point: 255.025 °C
Safety: 24/25
PSA: 168.28000
LogP: -0.80750
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  • CAS:80681-45-4 C22H28O11

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    CIMIFUGIN BETA-D-GLUCOPYRANOSIDE Basic information Product Name: CIMIFUGIN BETA-D-GLUCOPYRANOSIDE Synonyms: CIMIFUGIN BETA-D-GLUCOPYRANOSIDE;5H-Furo[3,2-g][1]benzopyran-5-one,7-[(β-

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    80681-45-4

    Factory Supply 98% Prim-O-glucosylcimifugin in stock

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Product Name: Prim-o-glucosylcimifugin Appearance: White powder CAS NO : 80681-45-4 Specification: 98% Test Method: HPLC Model Number: 100% Nature Shelf Life: Two years Known fo

    Shaanxi Mingqi Chemical Co., Ltd is committed to the development of import and export trade in the production, operation and plant extracts of pharmaceutical raw materials and inte

  • Shaanxi Mingqi Chemical Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+8618092428356

    Address:Weiyang District

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  • Prim-O-glucosylcimifugin

  • Casno:

    80681-45-4

    Prim-O-glucosylcimifugin

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    High purity, competitive price, warm service. Providing HPLC, MS, NMR, COA. Sichuan Weikeqi Biological Technology CO., LTD. was established in 2006. We are located in chengdu city, sichuan province, a professional company engaged in research

    Sichuan Weikeqi Biological Technology CO., LTD. was established in 2006, with registered capital of 1 million RMB. We are located in chengdu city, sichuan province, a professional

  • Sichuan WeiKeqi Biological Technology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-028-81700200

    Address:sichuan Chengdu Qingjiang Zhonglu 63号

       Inquiry Now

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Specification

The prim-O-Glucosylcimifugin, with cas registry number 80681-45-4, has the systematic name of (2S)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one. And it is also called 5H-furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2S)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.828; (5)ACD/KOC (pH 7.4): 3.828; (6)#H bond acceptors: 11; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 11; (9)Polar Surface Area: 164.37 Å2; (10)Index of Refraction: 1.648; (11)Molar Refractivity: 110.744 cm3; (12)Molar Volume: 304.489 cm3; (13)Polarizability: 43.902×10-24cm3; (14)Surface Tension: 79.419 dyne/cm; (15)Enthalpy of Vaporization: 112.828 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC(C)([C@@H]1Cc2c(cc3c(c2OC)c(=O)cc(o3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O1)O
(2)InChI: InChI=1/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1
(3)InChIKey: XIUVHOSBSDYXRG-UVTAEQIVBA
(4)Std. InChI: InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1
(5)Std. InChIKey: XIUVHOSBSDYXRG-UVTAEQIVSA-N