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155653-85-3

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Basic Information
CAS No.: 155653-85-3
Name: (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester
Molecular Structure:
Molecular Structure of 155653-85-3 ((2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester)
Formula: C36H58O9
Molecular Weight: 634.84
Synonyms: 1-O-[(2alpha,3beta)-2,3-Dihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose;beta-D-glucopyranose, 1-O-[(2alpha,3beta)-2,3-dihydroxy-28-oxours-12-en-28-yl]-;
Density: 1.27 g/cm3
Melting Point: 275 °C (decomp)
Boiling Point: 714.6 °C at 760 mmHg
Flash Point: 214.7 °C
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  • (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester

  • Casno:

    155653-85-3

    (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester

    Min.Order: 10 Gram

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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  • (2A,3SS)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID SS-D-GLUCOPYRANOSCAS

  • Casno:

    155653-85-3

    (2A,3SS)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID SS-D-GLUCOPYRANOSCAS

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    (2A,3SS)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID SS-D-GLUCOPYRANOSCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

    Welcome to Hangzhou Fandachem Co.,Ltd (www.FandaChem.com) Hangzhou Fandachem Co.,Ltd (Fandachem),an experienced and professional China-based Fine Chemical supplier. We supply the

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Specification

The (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester, with CAS registry number 155653-85-3, belongs to the following product categories: Pentacyclic Triterpenes. It has the systematic name of 1-O-[(2alpha,3beta)-2,3-dihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose.

Physical properties about this chemical are: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.94; (4)ACD/LogD (pH 7.4): 6.94; (5)ACD/BCF (pH 5.5): 111655.88; (6)ACD/BCF (pH 7.4): 111654.41; (7)ACD/KOC (pH 5.5): 142840.69; (8)ACD/KOC (pH 7.4): 142838.8; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 156.91 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 168.75 cm3; (15)Molar Volume: 497.6 cm3; (16)Polarizability: 66.89×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Enthalpy of Vaporization: 119.35 kJ/mol; (19)Vapour Pressure: 1.36E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O;
(2)InChI: InChI=1/C36H58O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
(3)InChIKey: HZKJZYRLLBKBHA-CKPBXHSSBW
(4)Std. InChI: InChI=1S/C36H58O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
(5)Std. InChIKey: HZKJZYRLLBKBHA-CKPBXHSSSA-N