NF00659A₁ | 169107-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: NF00659A₁
• 英文别名: NF 00659A(sub 1)；[10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] (2E,4E)-6-methylocta-2,4-dienoate
• CAS: 169107-90-8
• 化学式: C₃₆H₅₂O₇
• 分子量: 596.805
• InChiKey: GLJUDWCQRLSFDX-PHEQNACWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  NF00659A₁ 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 3-(3,10-Dihydroxy-4,4,7a,11b-tetramethyl-9-methylene-tetradecahydro-naphtho[2,1-b]oxepin-8-ylmethyl)-4-hydroxy-5,6-dimethyl-pyran-2-one
  参考文献：
  名称：

  NF00659A1, A2, A3, B1 and B2, Novel Antitumor Antibiotics Produced by Aspergillus sp. NF 00659. II. Structural Elucidation.

  摘要：

  NF00659A1, A2, A3, B1 and B12, having insecticidal and antitumor activities, were isolated from a culture mycelium of Aspergillus sp. NF 00659. The novel structure of NF00659s were determined mainly by spectroscopic studies including various NMR measurements. NF00659s have a common structure which consists of acyl, α-pyrone and 4, 5-seco-tricyclic diterpene moieties.

  DOI：

  10.7164/antibiotics.50.318

文献信息

• NF00659A1, A2, A3, B1 and B2, Novel Antitumor Antibiotics Produced by Aspergillus sp. NF 00659. II. Structural Elucidation.
  作者：KATSUHIRO SUZUKI、ATSUSHI KUWAHARA、TAKAAKI NISHIKIORI、TAIZO NAKAGAWA

  DOI：10.7164/antibiotics.50.318

  日期：——

  NF00659A1, A2, A3, B1 and B12, having insecticidal and antitumor activities, were isolated from a culture mycelium of Aspergillus sp. NF 00659. The novel structure of NF00659s were determined mainly by spectroscopic studies including various NMR measurements. NF00659s have a common structure which consists of acyl, α-pyrone and 4, 5-seco-tricyclic diterpene moieties.