(1S,4aS,4bS,7S,8aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene

• ChemBase编号: 125184
• 分子式: C19H34
• 平均质量: 262.47326
• 单一同位素质量: 262.26605109
• SMILES: C1C[C@@H]([C@@H]2CC[C@@H]3[C@H](CC[C@H](C(C)C)C3)[C@@]2(C)C1)C
• Canonical SMILES: CC([C@H]1CC[C@H]2[C@H](C1)CC[C@@H]1[C@]2(C)CCC[C@@H]1C)C
• InChI: InChI=1S/C19H34/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h13-18H,5-12H2,1-4H3/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: HTNCYKZTYXSRHL-DYKIIFRCSA-N

名称和登记号

名称

• IUPAC标准名: (1S,4aS,4bS,7S,8aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene
• IUPAC系统名: (1S,4aS,4bS,7S,8aS,10aS)-7-Isopropyl-1,4a-dimethyltetradecahydrophenanthrene
• IUPAC传统名: (1S,4aS,4bS,7S,8aS,10aS)-7-isopropyl-1,4a-dimethyl-dodecahydro-1H-phenanthrene
• 别名: 18-Norabietane

登记号

• CAS号: 2221-95-6
• PubChem SID: 162219534
• PubChem CID: 6451376
• Chemspider ID: 4953842
• 维基百科标题: 18-Norabietane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.271984
• LogD (pH = 7.4): 6.271984
• Log P: 6.271984
• 摩尔折射率: 83.3219 cm^3
• 极化性: 33.60564 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false