(2R,2'R,5'S,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-6',8'-dien-5'-yl acetate

• ChemBase编号: 205297
• 分子式: C24H32O4
• 平均质量: 384.50848
• 单一同位素质量: 384.2300595
• SMILES: [C@@]12(C(=C[C@@H](OC(=O)C)CC2)C=C[C@@H]2C1CC[C@@]1([C@@]3(OC(=O)CC3)CCC21)C)C
• Canonical SMILES: CC(=O)O[C@H]1CC[C@]2(C(=C1)C=C[C@@H]1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)C
• InChI: InChI=1S/C24H32O4/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/h4-5,14,17-20H,6-13H2,1-3H3/t17-,18+,19?,20?,22-,23-,24+/m0/s1
• InChIKey: GVIBMJZVMHMBKI-PAMFZLELSA-N

名称和登记号

名称

• IUPAC标准名: (2R,2'R,5'S,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-6',8'-dien-5'-yl acetate
• IUPAC传统名: (2R,2'R,5'S,10'R,15'S)-2',15'-dimethyl-5-oxospiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-6',8'-dien-5'-yl acetate

登记号

• PubChem SID: 164261207
• PubChem CID: 16401336

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.6251857
• LogD (pH = 7.4): 3.6251857
• Log P: 3.6251857
• 摩尔折射率: 107.5317 cm^3
• 极化性: 42.336277 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: Derivatives & analogs of Natural Compounds