[(1S,2S,5R,7R,8S,9S,10S,11R,13S,15R)-7,10,15-triacetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-13-yl] acetate | 117204-84-9

• 英文名称: [(1S,2S,5R,7R,8S,9S,10S,11R,13S,15R)-7,10,15-triacetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-13-yl] acetate
• CAS: 117204-84-9
• 化学式: C₂₈H₃₈O₁₀
• 分子量: 534.604
• InChiKey: ZVMNFKDHQFMVKL-PLNMDGBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  乙酸酐 、 ent-7β,20-epoxy-1α,3α,6α,7α,15α-pentahydroxykaur-16-ene 6,15-diacetate (rabdolongin A) 在 吡啶 作用下， 反应 50.0h， 以2.8 mg的产率得到[(1S,2S,5R,7R,8S,9S,10S,11R,13S,15R)-7,10,15-triacetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-13-yl] acetate
  参考文献：
  名称：

  Studies on the diterpenoids of Rabdosia longituba(MIQ.) HARA. Structure of a new bitter diterpenoid, rabdolongin A, and the absolute stereochemistry of rabdolongin B(=maoecrystal D).

  摘要：

  From the dried aerial parts of Rabdosia longituba (MIQ) HARA, a new bitter diterpenoid, rabdolongin A (1), was isolated and its structure was elucidated on the basis of spectroscopic and chemical evidence. The absolute stereochemistry of rabdolongin B (=maoecrystal D) (6) was chemically established by correlation with trichokaurin (8) possessing known absolute stereochemistry.

  DOI：

  10.1248/cpb.36.2079

文献信息

• TAKEDA, YOSHIO;ICHIHARA, TERUYOSHI;OTSUKA, HIDEAKI, CHEM. AND PHARM. BULL., 36,(1988) N 6, 2079-2083
  作者：TAKEDA, YOSHIO、ICHIHARA, TERUYOSHI、OTSUKA, HIDEAKI

  DOI：——

  日期：——