(6bS,8aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-ol

• ChemBase编号: 210155
• 分子式: C30H50O
• 平均质量: 426.7174
• 单一同位素质量: 426.38616622
• SMILES: [C@]12(C3=C([C@@]4(C(C(C(CC4)O)(C)C)CC3)C)CC[C@]1(C1[C@@](CC2)(CCC(C1)(C)C)C)C)C
• Canonical SMILES: OC1CC[C@]2(C(C1(C)C)CCC1=C2CC[C@@]2([C@]1(C)CC[C@@]1(C2CC(C)(C)CC1)C)C)C
• InChI: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22?,23?,24?,27-,28-,29-,30+/m1/s1
• InChIKey: MCSMMGJCXCBSKD-ZGCVNLHBSA-N

名称和登记号

名称

• IUPAC标准名: (6bS,8aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-ol
• IUPAC传统名: (6bS,8aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol

登记号

• PubChem SID: 164266065
• PubChem CID: 16403154

理论计算性质

• Acid pKa: 19.553787
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.359483
• LogD (pH = 7.4): 7.3594832
• Log P: 7.3594832
• 摩尔折射率: 131.6407 cm^3
• 极化性: 52.777435 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Genuine Natural Compounds