(15S)-14-hydroxy-14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase编号: 134321
• 分子式: C21H32O3
• 平均质量: 332.47698
• 单一同位素质量: 332.23514488
• SMILES: CC(C1(CCC2[C@@]1(CCC1C2CCC2=CC(=O)CCC12C)C)O)O
• Canonical SMILES: O=C1CCC2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(O)C)C)C
• InChI: InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16?,17?,18?,19?,20-,21?/m0/s1
• InChIKey: MASCESDECGBIBB-SDBBSPJZSA-N

名称和登记号

名称

• IUPAC标准名: (15S)-14-hydroxy-14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC传统名: (15S)-14-hydroxy-14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• 别名: 17α,20β-Dihydroxyprogesterone; 17α-Hydroxy-20β-dihydroprogesterone; 4-Pregnene-17α,20β-diol-3-one; Maturation Inducing hormone (MIF); 17α,20β-Dihydroxy-4-pregnen-3-one; 17α, 20β-Dihydroxy-4-pregnen-3-one; MIH; Maturation-inducing Hormone; 4-Pregnen-17α,20β-diol-3-one

登记号

• CAS号: 1662-06-2
• MDL号: MFCD00010485
• PubChem SID: 162228598; 24898755
• PubChem CID: 16219879

理论计算性质

• Acid pKa: 13.417379
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.015665
• LogD (pH = 7.4): 3.0156646
• Log P: 3.015665
• 摩尔折射率: 95.0305 cm^3
• 极化性: 37.560345 Å^3
• 极化表面积: 57.53 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: crystalline; White to Off-White Solid
• 熔点: 194-196°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Store in Freezer
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

详细说明

Sigma Aldrich - P6285

Biochem/physiol Actions
17α,20β-Dihydroxy-4-pregnen-3-one, also known as maturation-inducing steroid (MIS), is the most potent steroid for inducing final oocyte maturation in several species of fish.