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1059-14-9

Basic Information
CAS No.: 1059-14-9
Name: Taraxasterol
Article Data: 2
Molecular Structure:
Molecular Structure of 1059-14-9 (Taraxasterol)
Formula: C30H50O
Molecular Weight: 426.726
Synonyms: Lactucerol;Saussurol;a-Lactucerol;18a,19bH-Urs-20(30)-en-3b-ol (7CI,8CI);Taraxasterol (6CI);4-Taraxasterol;Isolactucerol;
Density: 1 g/cm3
Melting Point: 221-222°
Boiling Point: 488.2 °C at 760 mmHg
Flash Point: 217 °C
PSA: 20.23000
LogP: 8.02480
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  • Taraxasterol

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    Taraxasterol

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    TaraxasterolAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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    Taraxasterol

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  • Casno:

    1059-14-9

    Taraxasterol

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Specification

This chemical is called Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)-, and it's also named as Taraxasterol. With the molecular formula of C30H50O, its molecular weight is 426.7174. The CAS registry number of this chemical is 1059-14-9. Additonally, its product category is Steroids.

Other characteristics of the Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)- can be summarised as followings: (1)ACD/LogP: 11.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.06; (4)ACD/LogD (pH 7.4): 11.06; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 131.72 cm3; (15)Molar Volume: 423.6 cm3; (16)Polarizability: 52.22×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1 g/cm3; (19)Flash Point: 217 °C; (20)Enthalpy of Vaporization: 86.9 kJ/mol; (21)Boiling Point: 488.2 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-11 mmHg at 25°C.

Production method of this chemical: The Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)- could be obtained by the reactant of 3b-acetoxy-taraxast-20(30)-ene. This reaction needs the reagent of 5percent ethanolic KOH. The yield is 98 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

The Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)- could be obtained by the reactant of 3b-acetoxy-taraxast-20(30)-ene

You can still convert the following datas into molecular structure: 
1.SMILES: O[C@H]5CC[C@@]4([C@@H]3[C@@]([C@]2([C@@H]([C@@H]1[C@](C)(CC/C(=C)[C@H]1C)CC2)CC3)C)(C)CC[C@H]4C5(C)C)C
2.InChI: InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
3.InChIKey: XWMMEBCFHUKHEX-ZJJHUPNDBV