(2'R,14'R,15'S)-1''',2',3'',15'-tetramethyltrispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',5''-[1,3]oxazolidine-2'',4'''-piperidin]-7'-ene

• ChemBase编号: 193030
• 分子式: C29H46N2O3
• 平均质量: 470.68714
• 单一同位素质量: 470.35084334
• SMILES: [C@@]12([C@@]3(C(C4C([C@@]5(C(=CC4)CC4(OCCO4)CC5)C)CC3)CC2)C)OC2(N(C1)C)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)O[C@]1(CN2C)CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1
• InChI: InChI=1S/C29H46N2O3/c1-25-11-12-29(32-17-18-33-29)19-21(25)5-6-22-23(25)7-9-26(2)24(22)8-10-27(26)20-31(4)28(34-27)13-15-30(3)16-14-28/h5,22-24H,6-20H2,1-4H3/t22?,23?,24?,25-,26-,27-/m0/s1
• InChIKey: YMCDKPBEFRXSQH-KPXQCXIYSA-N

名称和登记号

名称

• IUPAC标准名: (2'R,14'R,15'S)-1''',2',3'',15'-tetramethyltrispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',5''-[1,3]oxazolidine-2'',4'''-piperidin]-7'-ene
• IUPAC传统名: (2'R,14'R,15'S)-1''',2',3'',15'-tetramethyltrispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',5''-[1,3]oxazolidine-2'',4'''-piperidin]-7'-ene

登记号

• PubChem SID: 164248940
• PubChem CID: 16397983

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.16021799
• LogD (pH = 7.4): 2.305461
• Log P: 4.627744
• 摩尔折射率: 135.1925 cm^3
• 极化性: 53.928753 Å^3
• 极化表面积: 34.17 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: Rare Derivatives of Natural Compounds