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胆固醇棕榈酸酯 | 601-34-3

胆固醇棕榈酸酯
Cholesteryl palmitate
601-34-3
C43H76O2
625.0624
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:胆固醇棕榈酸酯结构式
87565466
胆固醇棕榈酸酯价格
名称和标识符
MDL MFCD00003638
InChIKey BBJQPKLGPMQWBU-JADYGXMDSA-N
Inchi 1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/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])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 -
  • 胆固醇棕榈酸酯
  • 胆甾醇棕榈酸盐
  • 棕榈酸胆固醇酯
  • 3-(环己胺)-2-羟基-1-丙磺酸钠盐
  • 6-(1-哌嗪基)-3-吡啶甲酸
  • Cholesterol Palmitate 棕榈酸胆固醇酯
  • 棕榈胆固醇
  • 胆甾醇十六酸酯
  • 胆甾醇棕榈酸酯
  • 软脂酸胆甾醇酯
  • 十六酸胆甾醇酯
- 英文别名 -
  • Cholesteryl palmitate
  • 5-Cholestene 3-palmitate
  • Cholest-5-ene-3-beta-yl palmitate
  • Cholesterol Palmitate
  • CHOLESTERYL PALMITATE(RG)
  • Palmitic Acid Cholesterol Ester
  • Cholesteryl hexadecanoate
  • Hexadecanoic acid, cholesteryl ester
  • Cholesterol, palmitate
  • 16:0 Cholesterol ester
  • CE(16:0)
  • 16:0 Cholesteryl ester
  • cholest-5-en-3beta-yl hexadecanoate
  • Cholest-5-en-3-ol (3.beta.)-, hexadecanoate
  • Palmitic acid cholesteryl ester
  • ZR4D53AD57
  • (3beta)-cholest-5-en-3-ol hexadecanoate
  • (3beta)-cholest-5-en-3-yl hexadecanoate
  • Cholesterol hex
  • cholesterol 1-palmitoic acid
  • MFCD00003638
  • Cholesteryl palmitic acid
  • Hexadecanoic acid cholesteryl ester
  • D95354
  • (3beta)-Cholest-5-en-3-yl palmitate
  • Cholesterol palmitate
  • UNII-ZR4D53AD57
  • 3.beta.-Hexadecanoyloxycholest-5-ene
  • cholesterol 1-palmitoate
  • 1-palmitoyl-cholesterol
  • cholesteryl 1-hexadecanoic acid
  • BBJQPKLGPMQWBU-JADYGXMDSA-N
  • NSC59692
  • cholesterol 1-hexadecanoate
  • cholest-5-en-3-yl palmitate
  • cholesteryl 1-palmitoic acid
  • Cholesterol Palmitate, >/=97%
  • Cholesteryl palmitate, >=98% (HPLC
  • detection at 205 nm)
  • OP0201 COMPONENT CHOLESTERYL PALMITATE
  • (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 palmitate
  • CHEBI:3663
  • Cholest-5-en-3-ol (3.beta.)-, 3-hexadecanoate
  • NSC 59692
  • LMST01020005
  • cholesterylpalmitate
  • cholesteryl 1-palmitoate
  • CS-W011424
  • Cholesterol Ester(16:0/0:0)
  • Q27068156
  • NS00043878
  • HY-W010708
  • [(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] hexadecanoate
  • Cholesterol hexadecanoate
  • 16:0(CE)
  • AKOS015915569
  • cholesteryl 1-hexadecanoate
  • Cholesteryl palmitate, 97%
  • DTXSID40889356
  • Cholest-5-en-3-ol (3beta)-, hexadecanoate
  • Cholesteryl hexadecanoic acid
  • SCHEMBL295637
  • DS-4666
  • Cholesterol Ester(16:0)
  • 601-34-3
  • (3S,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 palmitate
  • AKOS015839810
  • Cholest-5-en-3-ol (3beta)-, 3-hexadecanoate
  • bmse000544
  • W-105278
  • NSC-59692
  • EINECS 210-002-5
  • cholesterol 1-hexadecanoic acid
物化性质
实验特性
LogP 13.42090
PSA 26.30000
折射率 -23.5 ° (C=2, CHCl3)
沸点 604.07°C (rough estimate)
熔点 74-77 °C (lit.)
蒸气压 0.0±2.0 mmHg at 25°C
闪点 651.5 °C at 760 mmHg
FEMA 3723
颜色与性状 白色有光泽的结晶粉末或片状
比旋光度 -24 º (c=2, CHCl3 27 ºC)
密度 0.9299 (rough estimate)
计算特性
精确分子量 624.58500
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 21
同位素质量 624.585
重原子数量 45
复杂度 904
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) 16.4
互变异构体数量
表面电荷 0
拓扑分子极性表面积 26.3
国际标准相关数据
EINECS 210-002-5
相关文献
专业数据库参考
PubChemId 87565466
参考资料
Reaxys RN 1917757
Beilstein 6(3)2640
化合物详情(旧版)

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC2[C@@](CC1)(C)[C@@H]3[C@@H](CC=2)[C@H]4[C@@](CC3)(C)[C@@H]([C@H](C)CCCC(C)C)CC4

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