简介名称和标识符别名信息物化性质安全信息国际标准相关数据相关文献专业数据库参考参考资料化合物详情（旧版）相关分类相关产品

胆甾烯基豆蔻酸酯 | 1989-52-2

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中文名称：胆甾烯基豆蔻酸酯

英文名称： Cholesterol myristate

CAS No.： 1989-52-2

分子式： C₄₁H₇₂O₂

分子量： 597.0092

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：胆甾烯基豆蔻酸酯结构式

MSDS：胆甾烯基豆蔻酸酯MSDS

PubChem CID： 87565763

价格行情：胆甾烯基豆蔻酸酯价格

快速询单国内供应商

胆甾烯基豆蔻酸酯的其他展现形式

相关化合物

胆甾烯基亚油酸酯

Cholesteryl linoleate

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胆甾烯基丙酸酯

Cholesteryl propionate

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胆固醇棕榈酸酯

Cholesteryl palmitate

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胆固醇乙酸酯

3b-Acetoxycholest-5-ene

CAS No.：604-35-3
胆固醇丁酸酯

Cholesteryl butyrate

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醋酸去氢表雄酮

dehydroisoandrosterone 3-acetate

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简介

Cholesterol myristate 是中药中天然类固醇。Cholesterol myristate 与多种离子通道结合，例如 nAChR，GABAA receptor 和内向整流钾离子通道 (potassium ion channel)。

名称和标识符

MDL	MFCD00014256
InChIKey	SJDMTGSQPOFVLR-URLWPYTOSA-N
Inchi	1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38-,40+,41-/m1/s1
SMILES	O(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(C1([H])[H])=C([H])C([H])([H])[C@]1([H])[C@@]2([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]

别名信息

- 中文别名 -

胆甾烯基豆蔻酸酯
胆甾醇豆蔻酸酯
豆蔻酸胆固醇酯
Cholesterol Myristate 豆蔻酸胆固醇酯
N-乙酯基-L-苯丙氨酸

肉豆蔻酸胆固醇
肉豆蔻酸胆固醇酯
胆固醇肉豆蔻酸酯
液晶
胆固醇豆蔻酸酯
胆固醇肉豆蔻酸酯,液晶
胆固醇肉豆蔻酸

- 英文别名 -

Cholesteryl myristate
Cholest-5-en-3beta-yl myristate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate
Cholesterol Myristate
5-CHOLESTEN-3B-OL 3-TETRADECANOATE

Cholesteryl myristate tetradecanoate
CHOLESTERYL TETRADECANOATE (MYRISTATE) ---CRYSTALLINE POWDER---
Cholest-5-en-3-yl myristate
cholesteryl tetradecanoate
CHOLESTERYL TETRADODEDECANOATE
Cholestryl myristate
Cholestryl myristic acid
Myristic Acid Cholesterol Ester
Myristinsaeure-cholesterylester
O-myristoyl-cholesterol
tetradecanoate
CM
Cholesterol=tetradecanoate
CholesterolMyristate
Cholesteryl tetradecanoate
CHOLESTERYL MYRISTATE
CHOLESTEROL MYRISTATE
CHOLESTERYL TETRADECANOATE
Cholesterol myristate
14:0 Cholesteryl ester
EINECS 217-867-8
Cholest-5-en-3-yl myristate #
(3beta)-cholest-5-en-3-yl tetradecanoate
Cholest-5-en-3-ol (3beta)-, 3-tetradecanoate
CS-6327
CHEBI:84304
cholest-5-en-3beta-yl tetradecanoate
CE(14:0/0:0)
Cholesteryl tetradecanoic acid
Cholest-5-en-3-ol (3beta)-tetradecanoate
MFCD00014256
cholesterol 1-myristoate
1989-52-2
AKOS025285999
HY-N2338
cholesterol 1-tetradecanoate
Cholest-5-en-3-ol (3beta)-, tetradecanoate
NS00045437
Cholest-5-en-3-ol (3beta)-tetradecanoic acid
AS-64976
cholesteryl 1-tetradecanoate
cholesterol 1-tetradecanoic acid
5-Cholesten-3.beta.-ol myristate
CE(14:0)
cholesteryl 1-myristoic acid
NSC 226867
1-myristoyl-cholesterol
cholesteryl 1-tetradecanoic acid
Cholesterol, myristate
cholesteryl 1-myristoate
SCHEMBL161746
14:0 Cholesterol ester
SJDMTGSQPOFVLR-ZPQCIJQQSA-N
C0675
Q27157667
Cholesterol Ester(14:0)
Cholesteryl myristate
Cholesteryl tetradecanoate
LMST01020004
D95276
cholesterol 1-myristoic acid
cholest-5-en-3beta-yl tetradecanoic acid
BP-29630
Cholesterol Ester(14:0/0:0)
HMS640H12
Cholest-5-en-3-ol (3.beta.)-, tetradecanoate
CHOLESTERYLMYRISTATE
DTXSID20941744
NSC-226867
DivK1c_003606
cholesteryl tetradecanoate (myristate)
AKOS016114001
ChemDiv1_018822
NSC226867
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl tetradecanoate
CDS1_002566
FT-0623738
Cholest-5-en-3-yl tetradecanoate
AKOS001587929
9A,11A-DIMETHYL-1-(6-METHYLHEPTAN-2-YL)-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA[A]PHENANTHREN-7-YL TETRADECANOATE

物化性质

实验特性

LogP	12.64070
PSA	26.30000
折射率	1.5250 (estimate)
沸点	589.77°C (rough estimate)
熔点	84 °C
闪点	334.8 °C
颜色与性状	晶体
溶解性	难溶解于水的
密度	0.9309 (rough estimate)

计算特性

精确分子量	596.55300
氢键供体数量	0
氢键受体数量	2
可旋转化学键数量	19
同位素质量	596.553
重原子数量	43
复杂度	873
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）	15.4
表面电荷	0
拓扑分子极性表面积	26.3

安全信息

WGK Germany	3
安全术语	S24/25
安全说明	S26; S36
风险术语	R36/37/38
危险品标志	Xi
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
危险类别码	36/37/38

国际标准相关数据

EINECS	217-867-8

相关文献

1. Molecular interactions at oil-water interfaces. Part III. Interfacial tension measurements
A. E. Alexander,J. H. Schulman Trans. Faraday Soc. 1940 36 960
2. Influence of surface rheology on dynamic wetting of droplets coated with insoluble surfactants
Danielle L. Leiske,Cécile Monteux,Michelle Senchyna,Howard A. Ketelson,Gerald G. Fuller Soft Matter 2011 7 7747
3. Cholesteryl myristate: structures of the crystalline solid and mesophases
Bryan M. Craven,George T. DeTitta J. Chem. Soc. Perkin Trans. 2 1976 814
4. Lipid storage compounds in raw activated sludge microorganisms for biofuels and oleochemicals production
Emmanuel D. Revellame,Rafael Hernandez,William French,William E. Holmes,Tracy J. Benson,Patrisha J. Pham,Allison Forks,Robert Callahan II RSC Adv. 2012 2 2015
5. Aqueous extracts of lingonberry and blackberry leaves identified by high-content screening beneficially act on cholesterol metabolism
Clemens R?hrl,Stefanie Steinbauer,Raimund Bauer,Eva Roitinger,Katharina Otteneder,Melanie Wallner,Cathrina Neuhauser,Bettina Schwarzinger,Clemens Schwarzinger,Herbert Stangl,Marcus Iken,Julian Weghuber Food Funct. 2021 12 10432
6. Enantiotopic discrimination in the NMR spectrum of prochiral solutes in chiral liquid crystals
Philippe Lesot,Christie Aroulanda,Herbert Zimmermann,Zeev Luz Chem. Soc. Rev. 2015 44 2330
7. Index of subjects, 1976
J. Chem. Soc. Perkin Trans. 2 1976 1945
8. Luminescence of metallomesogens in the liquid crystal state
Koen Binnemans J. Mater. Chem. 2009 19 448
9. Crystal structure of cholesteryl nonanoate
Nicholas G. Guerina,Bryan M. Craven J. Chem. Soc. Perkin Trans. 2 1979 1414
10. Crystal structure of cholesteryl 17-bromoheptadecanoate
Sixten Abrahamsson,Birgitta Dahlén J. Chem. Soc. Chem. Commun. 1976 117

专业数据库参考

PubChemId	87565763

参考资料

Reaxys RN	2068082
Beilstein	MFCD00014256

化合物详情（旧版）

SMILES

CCCCCCCCCCCCCC(=O)OC1CC2C(CC1)(C)C3C(CC=2)C4C(CC3)(C)C(C(C)CCCC(C)C)CC4

胆甾烯基豆蔻酸酯 | 1989-52-2

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