1172-09-4 (甲基酯-5alpha-Cholan-24-oic acid,Me ester-5alpha-Cholan-24-oic acid)

快速询单

结构式：

甲基酯-5alpha-Cholan-24-oic acidMOL文件

CAS号：

1172-09-4

中文名称：

甲基酯-5alpha-Cholan-24-oic acid

英文名称：

Me ester-5alpha-Cholan-24-oic acid

分子式：

C₂₅H₄₂O₂

分子量：

374.599788188934

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)名称与标识符

名称

英文别名：

Me ester-5alpha-Cholan-24-oic acid;G4KJU4LLB2;5alpha-Cholanic acid, methyl ester;METHYL 5.ALPHA.-CHOLANOATE;UNII-G4KJU4LLB2;Q27278745;Methyl 5alpha-cholanoate;5.alpha.-Cholanic acid, methyl ester;methyl 5a-cholanoate;Methyl cholanate, (5alpha)-;CHOLAN-24-OIC ACID, METHYL ESTER, (5.ALPHA.)-;Cholan-24-oic acid, methyl ester, (5alpha)-;YHTRVWPOAJKWBV-HXNVYPELSA-N;1172-09-4;METHYL CHOLANATE, (5.ALPHA.)-;(5alpha)-methyl cholanate;

标识符

InChIKey：

YHTRVWPOAJKWBV-HXNVYPELSA-N

Inchi：

1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,24+,25-/m1/s1

SMILES：

O(C)C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)=O

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)物化性质

计算特性

精确分子量 : 374.318480578g/mol
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 5
同位素质量 : 374.318480578g/mol
重原子数量 : 27
复杂度 : 557
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） : 8.3
拓扑分子极性表面积 : 26.3Å²

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)相关文献

1. Organic chemistry
J. Chem. Soc. Abstr. 1886 50 521
2. Deoxygenation of some 3-oxo-steroids by chlorotrimethylsilane and zinc
Philip Hodge,Munir N. Khan J. Chem. Soc. Perkin Trans. 1 1975 809
3. Deoxygenation of some 3-oxo-steroids by chlorotrimethylsilane and zinc
Philip Hodge,Munir N. Khan J. Chem. Soc. Perkin Trans. 1 1975 809
4. The use of polymer-supported Candida antarctica lipase B to achieve the entropically-driven ring-opening polymerization of macrocyclic bile acid derivatives via transesterification: selectivity of the reactions and the structures of the polymers produced
Philip Hodge,Abdel B. Chakiri RSC Adv. 2015 5 93057
5. 697. Aza-steroids. Part I. 3-Aza-A-homo-5α- and -5β-cholestane
C. W. Shoppee,J. C. P. Sly J. Chem. Soc. 1958 3458
6. Studies of organophosphorochloridates. Part II. Reactions of steroid phosphorodichloridates
R. J. W. Cremlyn,N. A. Olsson J. Chem. Soc. C 1971 2023
7. Organic chemistry
J. Chem. Soc. Abstr. 1924 126 i1
8. 202. Steroids and related compounds. Part XII. Some heterocyclic derivatives
H. Antaki,V. Petrow J. Chem. Soc. 1951 901
9. 641. Aza-steroids. Part VIII. 7a-aza-B-homo-5α-cholestane and 7a-aza-B-homocholest-5-ene
C. W. Shoppee,M. I. Akhtar,Ruth E. Lack J. Chem. Soc. 1964 3392
10. Organic chemistry
J. Chem. Soc. Abstr. 1880 38 710

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1172-09-4 (甲基酯-5alpha-Cholan-24-oic acid,Me ester-5alpha-Cholan-24-oic acid)

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)名称与标识符

名称

标识符

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)物化性质

计算特性

甲基酯-5alpha-Cholan-24-oic acid(1172-09-4)相关文献

目录