2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane

• ChemBase编号: 125214
• 分子式: C30H50O
• 平均质量: 426.7174
• 单一同位素质量: 426.38616622
• SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)C
• Canonical SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
• InChIKey: QYIMSPSDBYKPPY-BANQPHDMSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane; 2,2-dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl)oxirane
• IUPAC传统名: 2,3-oxidosqualene; 2,2-dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl)oxirane
• 别名: Squalene oxide; 2,3-Squalene oxide; 2,3-Oxidosqualene; 2,3-Epoxy-2,3-dihydrosqualene; 22,23-Epoxy-2,6,10,15,19,23-hexamethyl-2,6,10,14,18-tetracosapentaene; Squalene 2,3-epoxide; Squalene 2,3-oxide; 2,3-Oxidosqualene

登记号

• CAS号: 7200-26-2
• MDL号: MFCD00871184
• PubChem SID: 162219564
• PubChem CID: 5366020
• Chemspider ID: 4517951
• 医学主题词(MeSH): 2,3-oxidosqualene
• 维基百科标题: 2,3-Oxidosqualene

理论计算性质

• 极化性: 54.892815 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 9.443276
• LogD (pH = 7.4): 9.443276
• Log P: 9.443276
• 摩尔折射率: 143.4553 cm^3

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

产品相关信息

• 纯度: ≥92.0% (HPLC)

详细说明

Sigma Aldrich - 41043

Biochem/physiol Actions
2,3-Oxidosqualene is a substrate of the 2,3-oxidosqualene cyclase lanosterol synthase. 2,3-oxidosqualene cyclase has been shown to be suppressed by a high fat diet and high levels of cholesterol. 1