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58558-08-0

Basic Information
CAS No.: 58558-08-0
Name: Saikosaponin B1
Article Data: 3
Molecular Structure:
Molecular Structure of 58558-08-0 (Saikosaponin B1)
Formula: C42H68O13
Molecular Weight: 780.994
Synonyms: Saikosapanin B1;a-D-Galactopyranoside,(3a,4R,16a)-16,23,28- trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-a-D-glucopyranosyl-;(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol;beta-D-Galactopyranoside, (3beta,4alpha,16beta)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-;(3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside;
Density: 1.35 g/cm3
Melting Point: 235-238 °C
Boiling Point: 909.9 °C at 760 mmHg
Flash Point: 504.1 °C
PSA: 218.99000
LogP: 1.68060
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    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

  •  ZHEJIANG JIUZHOU CHEM CO.,LTD

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    Tel:+86 19334956669

    Address:Waisha Road,Jiaojiang

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  • Saikosaponin B1

  • Casno:

    58558-08-0

    Saikosaponin B1

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

  •  LEAP CHEM Co., Ltd.

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    Tel:0571-87317139

    Address:hangzhou

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  • Saikosaponin B1

  • Casno:

    58558-08-0

    Saikosaponin B1

    Min.Order: 100 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Saikosaponin B1 Basi

    Henan Sunlake Enterprise Corporation is located in Henan Province , the central plain of China , which enjoys favorable geogeaphical position and convenient transportion. The compa

  • HENAN SUNLAKE ENTERPRISE CORPORATION

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-371- 86259723

    Address:Mingmen International Center, NO.222 Dongming Road,Zhengzhou,Henan,China

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  • 58558-08-0  CAS NO.58558-08-0

  • Casno:

    58558-08-0

    58558-08-0 CAS NO.58558-08-0

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Price, service, company and transport advantage: 1. Best service, place of origin China, high quality, and reasonable price. 2. It's customers' right to choose the package (EMS, DHL, FEDEX, UPS). 3. It's customers' right

    Changchun Haofei Import and Export Trade Co. , Ltd is located in Changchun, Changchun, Jilin Province. We are a modern high-tech private enterprise specializing in the R & D, Produ

  • Jilin haofei import and export trade Co.,Ltd

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    Tel:+8615643102578

    Address:303 Room, Guanghui Park, Huanghe Road, Kuancheng District

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Specification

The Saikosaponin B1, with the CAS registry number 58558-08-0, has the systematic name of (3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside. And the molecular formula of the chemical is C42H68O13.

The characteristics of Saikosaponin B1 are as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 316; (6)ACD/BCF (pH 7.4): 316; (7)ACD/KOC (pH 5.5): 2142; (8)ACD/KOC (pH 7.4): 2142; (9)#H bond acceptors: 13; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 218.99 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 202.119 cm3; (15)Molar Volume: 576.224 cm3; (16)Polarizability: 80.126×10-24cm3; (17)Surface Tension: 68.505 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 504.075 °C; (20)Enthalpy of Vaporization: 150.179 kJ/mol; (21)Boiling Point: 909.877 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O([C@@H]6[C@@H](O)[C@H](O[C@H]4CC[C@]3(C)[C@H]5/C=C\C2=C1/CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@@]2(C)[C@]5(C)CC[C@H]3[C@]4(C)CO)O[C@H](C)[C@@H]6O)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
(2)InChI: InChI=1/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1
(3)InChIKey: WRYJYFCCMSVEPQ-MNIDVGFKBX