(4aR,6S,6aS,10aS,11R,12aR)-11-methoxy-3,6a,10,10-tetramethyl-12-methylene-6-(prop-1-en-2-yl)-6,6a,7,8,9,10,10a,11,12,12a-decahydro-1H-benzo[b]xanthen-2(4aH)-one | 1267441-74-6

• 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: (4aR,6S,6aS,10aS,11R,12aR)-11-methoxy-3,6a,10,10-tetramethyl-12-methylene-6-(prop-1-en-2-yl)-6,6a,7,8,9,10,10a,11,12,12a-decahydro-1H-benzo[b]xanthen-2(4aH)-one
• CAS: 1267441-74-6
• 化学式: C₂₆H₃₆O₃
• 分子量: 396.57
• InChiKey: JGTWBNBOKHFUEJ-ZFLUUJBCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.78
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  甲醇 、 phorbasone A 在 盐酸 作用下， 反应 24.0h， 以48%的产率得到(4aR,6S,6aS,10aS,11R,12aR)-11-methoxy-3,6a,10,10-tetramethyl-12-methylene-6-(prop-1-en-2-yl)-6,6a,7,8,9,10,10a,11,12,12a-decahydro-1H-benzo[b]xanthen-2(4aH)-one
  参考文献：
  名称：

  Phorbasones A and B, Sesterterpenoids Isolated from the Marine Sponge Phorbas sp. and Induction of Osteoblast Differentiation

  摘要：

  Two new sesterterpenoids, phorbasones A (1) and B (2), were isolated from the Korean marine sponge Phorbas sp. Their complete structures were elucidated by spectral data and chemical reactions. Phorbasone A exhibited a positive effect on the calcium deposition activity in C3H10T1/2 cells. The biogenic origin of the core structure is believed to be through a novel rearrangement from the ansellone carbon structure.

  DOI：

  10.1021/ol1029386