(2'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-oxolan]-7'-en-5''-one

• ChemBase编号: 184938
• 分子式: C24H34O4
• 平均质量: 386.52436
• 单一同位素质量: 386.24570957
• SMILES: [C@]12([C@@]3(OC(=O)CC3)CCC1C1C([C@@]3(C(=CC1)CC1(OCCO1)CC3)C)CC2)C
• Canonical SMILES: O=C1CC[C@]2(O1)CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC2(C1)OCCO2
• InChI: InChI=1S/C24H34O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3,17-19H,4-15H2,1-2H3/t17?,18?,19?,21-,22-,23+/m0/s1
• InChIKey: QZDICFWNRZAVJB-RARJIALNSA-N

名称和登记号

名称

• IUPAC标准名: (2'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-oxolan]-7'-en-5''-one
• IUPAC传统名: (2'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-oxolan]-7'-en-5''-one

登记号

• PubChem SID: 164240848
• PubChem CID: 16396133

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.8577156
• LogD (pH = 7.4): 3.8577156
• Log P: 3.8577156
• 摩尔折射率: 106.6391 cm^3
• 极化性: 42.471016 Å^3
• 极化表面积: 44.76 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