Isobutyric acid (3S,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester | 118304-49-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Isobutyric acid (3S,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester
• 英文别名: [(3S,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
• CAS: 118304-49-7
• 化学式: C₁₉H₂₈O₆
• 分子量: 352.428
• InChiKey: HHVMVJLUXJFWKN-PQSSIQLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  89.9
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Isobutyric acid (3S,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester 生成 Isobutyric acid (3R,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester
  参考文献：
  名称：

  SARMA, J. C.;CHOWDHURY, P. K.;BARUA, N. C.;SHARMA, R. P.;KULANTHAIVEL, P.+, INDIAN J. CHEM., 26,(1987) N 10, 923-929

  摘要：

  DOI：
• 作为产物：
  描述：

  Isobutyric acid (3R,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester 生成 Isobutyric acid (3S,3aR,4R,6R,6aR,9R,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-4-yl ester
  参考文献：
  名称：

  SARMA, J. C.;CHOWDHURY, P. K.;BARUA, N. C.;SHARMA, R. P.;KULANTHAIVEL, P.+, INDIAN J. CHEM., 26,(1987) N 10, 923-929

  摘要：

  DOI：

文献信息

• Sarma, J. C.; Chowdhury, P. K.; Barua, N. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 923 - 929
  作者：Sarma, J. C.、Chowdhury, P. K.、Barua, N. C.、Sharma, R. P.、Kulanthaivel, P.、Watanabe, K.

  DOI：——

  日期：——