517-10-2 (同种异体胆固醇,ALLOCHOLESTEROL)

快速询单

结构式：

同种异体胆固醇MOL文件

CAS号：

517-10-2

中文名称：

同种异体胆固醇

英文名称：

ALLOCHOLESTEROL

分子式：

C₂₇H₄₆O

分子量：

386.653548717499

同种异体胆固醇(517-10-2)名称与标识符

名称

英文别名：

ALLOCHOLESTEROL;COPROSTENOL;UNII-09BHM92Y0W;LMST01010352;Allocholesterol [MI];4-cholestenol;CHEMBL498629;CHEBI:79839;517-10-2;Cholest-4-en-3-ol, (3.beta.)-;delta4-Cholesten-3beta-ol;Q27148977;DTXSID70878677;09BHM92Y0W;Allocholesterin;Cholest-4-en-3beta-ol;.DELTA.4-CHOLESTEN-3.BETA.-OL;4-Cholesten-3beta-ol;Cholest-4-en-3.beta.-ol;Cholest-4-en-3-ol, (3beta)-;SCHEMBL2031788;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;NSC-18185;3beta-Hydroxycholest-4-ene;

标识符

InChIKey：

UIMGHSAOLFTOBF-DPAQBDIFSA-N

Inchi：

1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

SMILES：

O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]43)[C@@]2(C)CC1

同种异体胆固醇(517-10-2)物化性质

实验特性

LogP : 8.15950
PSA : 20.23000
折射率 : 1.5100 (estimate)
沸点 : 452.8°C (rough estimate)
熔点 : 132°
比旋光度 : D23 +43.7° (c = 1 in benzene)
密度 : 0.9610 (rough estimate)

计算特性

精确分子量 : 386.35500
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 5
同位素质量 : 386.354866087g/mol
重原子数量 : 28
复杂度 : 591
同位素原子数量 : 0
确定原子立构中心数量 : 8
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 8.6
拓扑分子极性表面积 : 20.2Å²

同种异体胆固醇(517-10-2)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
上海维亦特生物科技有限公司	15317051735	赵静	2033721411		询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095		询单

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3. 248. The application of the method of molecular rotation differences to steroids. Part III. Steroidal hormones and bile acids
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4. 302. Studies in the sterol group. Part XXXIII. The constitution of the isomeric ethers of cholesterol (continued from part XXIX)
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8. 208. Studies in the sterol group. Part XXV. An investigation of some reactions of the isomeric ethers of cholesterol
J. H. Beynon,I. M. Heilbron,F. S. Spring J. Chem. Soc. 1936 907
9. 136. Steroids and the Walden inversion. Part VI. Reduction of cholest-5-en-3-one with lithium aluminium hydride
C. W. Shoppee,G. H. R. Summers J. Chem. Soc. 1950 687
10. 332. Hydrogenation under the action of selenium. Part I. The action of selenium on cholesterol at 230°
Charles Dorée,Vladimir A. Petrow J. Chem. Soc. 1935 1391