麦角甾醇 含量99.6%,可溯源
Ergosterol
品牌:桔子
产品编号:A10116
CAS号:57-87-4
分子式:C28H44O
分子量:396.65
MDL:MFCD00003623
| 产品名称 : | 麦角甾醇 |
|---|---|
| 英文名称 : | Ergosterol |
| 参考名称 : | (3S,9S,10R,13R,14R,17R)-17-(2R,5R,E)-5,6-二甲基庚-3-烯-2-基)-10,13-二甲基-2,3,4,9,10,11,12,13,14,15,16,17-十二氢-1H-环戊烷[a]菲-3-醇 |
| 参考英文名称 : | (3S,9S,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| CAS号 : | 57-87-4 |
| 分子式 : | C28H44O |
| 分子量 : | 396.65 |
| SMILES : | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| MDL NO : | MFCD00003623 |
| PubChem CID : | 444679 |
| InChIKey : | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| 储存条件 : | RT&&2-8℃ |
实验性质
| 外观 / 形态 : | Solid; Turns yellow on exposure to light and air; [Merck Index] Hygroscopic solid; [Sigma-Aldrich MSDS];Solid |
|---|---|
| 颜色 / 形态 : | Small hydrated plates from alcohol, in hydrated needles from ether. The best crystalized form contains 1 1/2 mol H2O;Platelets from water, alcohol; needles from ethyl ether;Colorless crystals |
| 沸点 : | 250 °C at 0.01 mm Hg |
| 熔点 : | 170 °C;MP: 168 °C. Complete removal from water is almost impossible and results in an amorphous mass, melting range 166-183 °C. ... Precipitated by digitonin. Affected by light and air, turns yellow. Oxygen forms peroxides and hydrogen may form polyhydro compounds. |
| 溶解性 : | Slightly soluble in ethanol, ethyl ether, petroleum ether; soluble in benzene, chloroform;One gram dissolves in 660 mL alcohol, in 45 mL boiling alcohol, in 70 mL ether, in 39 mL boiling ether, in 31 mL chloroform.;16 mg/mL |
| 密度 : | 1.04 |
| 旋光性 : | UV irradiation gives vitamin D4 ... Solvated needles from ethyl acetate + methanol, mp 152-153 °C (dried). Specific optical rotation: -109 deg at 19 °C/D (CHCl3); also reported as needles from chloroform-methanol, mp 128-130 °C; Specific optical rotation: -121 deg at 19 °C/D ( c = 0.1). UV max: 262,272,282,294 nm (epsilon 8000, 11200, 11800, 6800). /22,23-Dihydro analog/;Specific optical rotation: -135 deg (in chloroform);Specific optical rotation: -135 deg at 20 °C/D ( c = 1.2 in CHCL3, calcd as anhydr); -171 deg at 20 °C/546 |
计算性质
| LogP : | 7.4 |
|---|---|
| 极性表面积 (TPSA) : | 20.2 Ų |
| 氢键供体数 : | 1 |
| 氢键受体数 : | 1 |
| 可旋转键数 : | 4 |
| 精确质量 : | 396.339216023 Da |
| 重原子数 : | 29 |
| 分子复杂度 : | 712 |
资料来源:麦角甾醇产品资料页;来源页标注 PubChem CID 444679,资料日期 2026-10-11。
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