(2R,2'R,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecan]-6'-en-5'-yl acetate

• ChemBase编号: 205260
• 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)CCC1[C@H]1C([C@@]3(C(=CC(OC(=O)C)CC3)CC1)C)CC2)C
• Canonical SMILES: CC(=O)OC1CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)C
• InChI: InChI=1S/C24H34O4/c1-15(25)27-17-6-10-22(2)16(14-17)4-5-18-19(22)7-11-23(3)20(18)8-12-24(23)13-9-21(26)28-24/h14,17-20H,4-13H2,1-3H3/t17?,18-,19?,20?,22+,23+,24-/m1/s1
• InChIKey: YSKYSQZEVNUXOX-VUSIWAPVSA-N

名称和登记号

名称

• IUPAC标准名: (2R,2'R,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-6'-en-5'-yl acetate
• IUPAC传统名: (2R,2'R,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-6'-en-5'-yl acetate

登记号

• PubChem SID: 164261170
• PubChem CID: 16401327

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9871073
• LogD (pH = 7.4): 3.9871073
• Log P: 3.9871073
• 摩尔折射率: 106.4151 cm^3
• 极化性: 42.579018 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds