2-[(1E)-8-{[4-(acetyloxy)-3,5-dihydroxy-6-{[(2-methylbut-3-en-2-yl)oxy]methyl}oxan-2-yl]oxy}-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.03,7]tetradeca-1,6-dien-6-yl]propyl acetate

• ChemBase编号: 134275
• 分子式: C36H56O12
• 平均质量: 680.82264
• 单一同位素质量: 680.37717723
• SMILES: CC1C2CCC(C2=CC2(C(CC(=C2C(C1O)OC1C(C(C(C(O1)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
• Canonical SMILES: COCC1CCC2C1=CC1(C)C(O)CC(=C1C(C(C2C)O)OC1OC(COC(C=C)(C)C)C(C(C1O)OC(=O)C)O)C(COC(=O)C)C
• InChI: InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-
• InChIKey: KXTYBXCEQOANSX-QFEZKATASA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1E)-8-{[4-(acetyloxy)-3,5-dihydroxy-6-{[(2-methylbut-3-en-2-yl)oxy]methyl}oxan-2-yl]oxy}-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.0^3,^7]tetradeca-1,6-dien-6-yl]propyl acetate
• IUPAC传统名: fucicoccin
• 别名: 壳梭孢菌素 来源于扁桃壳梭菌; Fusicoccin from Fusicoccum amygdali

登记号

• CAS号: 20108-30-9
• MDL号: MFCD00070322
• PubChem SID: 162228552; 24894726
• PubChem CID: 5381214

理论计算性质

• Acid pKa: 12.244498
• 质子受体: 10
• 质子供体: 4
• LogD (pH = 5.5): 1.3542345
• LogD (pH = 7.4): 1.3542284
• Log P: 1.3542346
• 摩尔折射率: 175.7612 cm^3
• 极化性: 70.283585 Å^3
• 极化表面积: 170.44 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥85%

详细说明

Sigma Aldrich - F0537

Other Notes
一种对植物具有多种生理效应的二萜糖苷。
Application
Fusicoccin (Fusicoccin A), a diterpene glucoside, is used to study 14-3-3-dependent activation of H+-ATPase in plants. Fusicoccin is an inducer of a catalase inhibitor that leads to oxidative damage in plants.