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64421-28-9

Basic Information
CAS No.: 64421-28-9
Name: SHANZHISIDE METHYL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 64421-28-9 (SHANZHISIDE METHYL ESTER)
Formula: C17H26O11
Molecular Weight: 406.387
Synonyms: Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-,methyl ester, [1S-(1a,4aa,5a,7a,7aa)]-;Sanshiside methyl ester;Shanzhiside methyl ester;Shanzhizide methyl ester;Shanziside methyl ester;
Density: 1.581 g/cm3
Melting Point: 90 °C (dec.)
Boiling Point: 651.373 °C at 760 mmHg
Flash Point: 233.014 °C
Safety: 22-24/25
PSA: 175.37000
LogP: -3.03590
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  • SHANZHISIDEMETHYLESTER64421-28-9

  • Casno:

    64421-28-9

    SHANZHISIDEMETHYLESTER64421-28-9

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory,reasonable price Appearance:detailed see specifications Storage:Store in dry, dark and ventilated place. Package:according to the clients requirement Application:pharmaceutical intermediates Transportation:by courier,air or sea Port:S

    Shanghai Hanhong Chemical Co., Ltd. is a professional enterprise engaged in researching, developing ,manufacturing and exporting unnatural amino acids ,nucleosides,nucleotides ,

  • Shanghai Hanhong Scientific Co.,Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-21-64541543,54280654,13918533501

    Address:Jiachuan Road 245

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  • hanzhiside Methyl ester

  • Casno:

    64421-28-9

    hanzhiside Methyl ester

    Min.Order: 10 Gram

    FOB Price:  USD $ 10.0-10.0

    in stock Assay:99% white powder dentification(HPLC) :The retention time of the major peak in the chromatogram of the assay preparation corresponds to that in the chromatogram of the Conformal standard preparation, as obtained in the assay

    Wuhan Yingyuanbei Biotechnology Co., Ltd. is a high-tech enterprise specializing in R&D and production of pharmaceutical raw materials and intermediates. At present, t

  • WUHAN YING YUAN BEI TECHNOLOGY CO., LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-13349903920

    Address:Wuhan

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Specification

The Shanzhiside methyl ester, with the CAS registry number 64421-28-9, is also known as Methyl (1S,4aS,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4alpha,5,6,7,7alpha-hexahydrocyclopenta[c]pyran-4-carboxylate. It belongs to the product category of Iridoids. This chemical's molecular formula is C17H26O11 and molecular weight is 406.147512. Its IUPAC name is called methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4alpha,5,6,7alpha-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.

Physical properties of Shanzhiside methyl ester: (1)ACD/LogP: -2.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 90.416 cm3; (14)Molar Volume: 256.98 cm3; (15)Surface Tension: 81.843 dyne/cm; (16)Density: 1.581 g/cm3; (17)Flash Point: 233.014 °C; (18)Enthalpy of Vaporization: 109.924 kJ/mol; (19)Boiling Point: 651.373 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)\C2=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@H]23
(2)InChI: InChI=1/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
(3)InChIKey: KKSYAZCUYVRKML-IRDZEPHTBW