(2''R,5'R,15''S)-5''-methoxy-1,2'',3',15''-tetramethyldispiro[piperidine-4,2'-[1,3]oxazolidine-5',14''-tetracyclo[8.7.0.02,7.011,15]heptadecan]-7''-ene

• ChemBase编号: 193077
• 分子式: C28H46N2O2
• 平均质量: 442.67704
• 单一同位素质量: 442.35592872
• SMILES: [C@@]12([C@@]3(C(C4C([C@@]5(C(=CC4)CC(CC5)OC)C)CC3)CC2)C)OC2(N(C1)C)CCN(CC2)C
• Canonical SMILES: COC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@@]32CN(C2(O3)CCN(CC2)C)C)C)C1)C
• InChI: InChI=1S/C28H46N2O2/c1-25-11-8-21(31-5)18-20(25)6-7-22-23(25)9-12-26(2)24(22)10-13-27(26)19-30(4)28(32-27)14-16-29(3)17-15-28/h6,21-24H,7-19H2,1-5H3/t21?,22?,23?,24?,25-,26-,27-/m0/s1
• InChIKey: YKZPJVAZIXEHHB-OWGKRJHCSA-N

名称和登记号

名称

• IUPAC标准名: (2''R,5'R,15''S)-5''-methoxy-1,2'',3',15''-tetramethyldispiro[piperidine-4,2'-[1,3]oxazolidine-5',14''-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-7''-ene
• IUPAC传统名: (2''R,5'R,15''S)-5''-methoxy-1,2'',3',15''-tetramethyldispiro[piperidine-4,2'-[1,3]oxazolidine-5',14''-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-7''-ene

登记号

• PubChem SID: 164248987
• PubChem CID: 16397991

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3357034
• LogD (pH = 7.4): 2.4809463
• Log P: 4.8032293
• 摩尔折射率: 130.7222 cm^3
• 极化性: 52.13579 Å^3
• 极化表面积: 24.94 Å^2
• 可自由旋转的化学键: 1
• 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