(4aS,5'S,6aS,7R,8R,10bR)-3,3,6a,8,10b-pentamethyl-decahydro-1H-dispiro[naphtho[2,1-d][1,3]dioxine-7,2':5',3''-bis(oxolane)]

• ChemBase编号: 209873
• 分子式: C23H38O4
• 平均质量: 378.54542
• 单一同位素质量: 378.2770097
• SMILES: [C@]12([C@]3(O[C@@]4(CC3)CCOC4)[C@@H](CCC1[C@]1([C@@H](OC(OC1)(C)C)CC2)C)C)C
• Canonical SMILES: C[C@@H]1CCC2[C@]([C@]31CC[C@@]1(O3)COCC1)(C)CC[C@H]1[C@@]2(C)COC(O1)(C)C
• InChI: InChI=1S/C23H38O4/c1-16-6-7-17-20(4)14-25-19(2,3)26-18(20)8-9-21(17,5)23(16)11-10-22(27-23)12-13-24-15-22/h16-18H,6-15H2,1-5H3/t16-,17?,18+,20+,21+,22+,23-/m1/s1
• InChIKey: QETHKRDIJLVIMV-TXCUCECXSA-N

名称和登记号

名称

• IUPAC标准名: (4aS,5'S,6aS,7R,8R,10bR)-3,3,6a,8,10b-pentamethyl-decahydro-1H-dispiro[naphtho[2,1-d][1,3]dioxine-7,2':5',3''-bis(oxolane)]
• IUPAC传统名: (4aS,5'S,6aS,7R,8R,10bR)-3,3,6a,8,10b-pentamethyl-octahydrodispiro[naphtho[2,1-d][1,3]dioxine-7,2':5',3''-bis(oxolane)]

登记号

• PubChem SID: 164265783
• PubChem CID: 16403001

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6766667
• LogD (pH = 7.4): 3.6766667
• Log P: 3.6766667
• 摩尔折射率: 104.7676 cm^3
• 极化性: 42.217255 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds