cytochalasin P 7,18-O-dibenzoate | 121981-18-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 细胞松弛素类
• 英文名称: cytochalasin P 7,18-O-dibenzoate
• 英文别名: [(1R,2R,3E,5R,7S,9E,11R,12S,13S,14S,15R,16S)-2-acetyloxy-5-benzoyloxy-16-benzyl-13-hydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-12-yl] benzoate
• CAS: 121981-18-8
• 化学式: C₄₄H₄₉NO₈
• 分子量: 719.875
• InChiKey: OROBDYDTGUUXJG-VPCUZXDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (6S,7S,13E,16S,18R,19E,21R)-21-(乙酰氧基)-6,7,18-三羟基-16,18-二甲基-10-苯基-(11)松胞素-13,19-二烯-1-酮 、 苯甲酰氯 生成 cytochalasin P 7,18-O-dibenzoate
  参考文献：
  名称：

  IZAWA, YOSHIHIKO;HIROSE, TAKASHI;SHIMIZU, TAKAKO;KOYAMA, KIYOTAKA;NATORI,+, TETRAHEDRON, 45,(1989) N, C. 2323-2335

  摘要：

  DOI：

文献信息

• Six new 10-pheynl-[11]cytochalasans, cytochalasins N - S from phomopsis SP.
  作者：Yoshihiko Izawa、Takashi Hirose、Takako Shimizu (née Tomioka)、Kiyotaka Koyama、Shinsaku Natori

  DOI：10.1016/s0040-4020(01)83434-7

  日期：1989.1

  From Phomopsis sp. (68-GO-164) six new cytochalasans named cytochalasins N, O, P, Q, R and S were isolated, together with the four known compounds, epoxycytochalasins H and J and cytochalasins H and J. The structures (5 – 10) of the new compounds as 10-phenyl-[11]cytochalasans were determined from spectral data, especially 1H and 13C NMR, and by chemical correlation with known compounds. Cytochalasins

  从Phomopsis sp。（68-GO-164）6个名为细胞松弛素N，O，P，Q，R和S中分离新cytochalasans，与四个已知的化合物一起，epoxycytochalasins H和J和细胞松弛素H和J的结构（5 - 10）根据光谱数据，特别是1 H和13 C NMR，以及与已知化合物的化学相关性，确定了新化合物的10-苯基-[11]细胞松弛素。细胞松弛素P，Q，R和S（7 - 10）具有在分子中的环己烷部分新颖二醇型结构。
• Three new 10-phenyl-(11)cytochalasans, cytochalasins N, O, and P from Phomopsis sp.
  作者：Takako Tomioka、Yoshihiko Izawa、Kiyotaka Koyama、Shinsaku Natori

  DOI：10.1248/cpb.35.902

  日期：——

  From Phomopsis sp. (68-GO-164) three new cytochalasans named cytochalasins N, O, and P were isolated, besides the four known cytochalasans, cytochalasins H and J and epoxycytochalasins H and J. The structures of the new compounds were determined by spectral analysis, especially by NMR, and by correlation reactions with known compounds.

  从Phomopsis sp.（68-GO-164）中分离出三种新的细胞质素，命名为细胞质素N、O和P，此外还有四种已知的细胞质素，即细胞质素H和J以及环氧细胞质素H和J。新化合物的结构通过光谱分析，特别是核磁共振（NMR）以及与已知化合物的相关反应确定。