2,15-dimethyl-5-(3-methylbutoxy)-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene

• ChemBase编号: 112306
• 分子式: C32H56O
• 平均质量: 456.78644
• 单一同位素质量: 456.43311641
• SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OCCC(C)C
• Canonical SMILES: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OCCC(C)C)C)C
• InChI: InChI=1S/C32H56O/c1-22(2)9-8-10-24(5)28-13-14-29-27-12-11-25-21-26(33-20-17-23(3)4)15-18-31(25,6)30(27)16-19-32(28,29)7/h11,22-24,26-30H,8-10,12-21H2,1-7H3
• InChIKey: ANAJYEZUWQRKRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,15-dimethyl-5-(3-methylbutoxy)-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene; 2,15-dimethyl-5-(3-methylbutoxy)-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-ene
• IUPAC传统名: 2,15-dimethyl-5-(3-methylbutoxy)-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene; 2,15-dimethyl-5-(3-methylbutoxy)-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-ene
• 别名: CHOLESTERYL ISOAMYL ETHER; 3β-Hydroxy-5-cholestene 3-isoamyl ether; 5-Cholesten-3β-ol 3-isoamyl ether; Cholesteryl isoamyl ether

登记号

• CAS号: 74996-30-8
• MDL号: MFCD00021147
• PubChem SID: 24892806; 162097232
• PubChem CID: 300145

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 9.366934
• LogD (pH = 7.4): 9.366934
• Log P: 9.366934
• 摩尔折射率: 143.7899 cm^3
• 极化性: 57.285976 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

详细说明

MP Biomedicals - 05223441

MP Biomedicals Rare Chemical collection