methyl 2-oxo-kolavenoate | 38076-35-6

• 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: methyl 2-oxo-kolavenoate
• 英文别名: methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoate
• CAS: 38076-35-6
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: SABQHVWRNLPVTQ-ZQTZVFAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-oxo-kolavenoate 在 sodium tetrahydroborate 作用下， 生成 (E)-5-((1S,2R,4aR,7S,8aR)-7-Hydroxy-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl)-3-methyl-pent-2-enoic acid methyl ester
  参考文献：
  名称：

  Nine new clerodane diterpenoids from rhizomes of Solidago altissima

  摘要：

  Nine new clerodane- and abeoclerodane-type diterpenoids have been isolated from rhizomes of Solidago altissima L. and their structures established mainly based on 2D NMR spectral data as well as X-ray analysis. Ten known compounds have also been isolated and some of their C-13 NMR data are listed. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00273-3
• 作为产物：
  描述：

  methyl (E)-5-[(1S,2R,4aR,7S,8aR)-7-hydroperoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate 生成 methyl 2-oxo-kolavenoate
  参考文献：
  名称：

  LOPES, LUCIA M. X.;BOLZANI, VANDERLAN DA S.;TREVISAN, LIGIA M. V., PHYTOCHEMISTRY, 26,(1987) N 10, 2781-2784

  摘要：

  DOI：

文献信息

• Clerodane diterpenes from Aristolochia species
  作者：Lucia M.X. Lopes、Vanderlan da S. Bolzani、Ligia M.V. Trevisan

  DOI：10.1016/s0031-9422(00)83590-6

  日期：1987.1

  Abstract The investigation of Aristolochia brasiliensis and A. esperanzae afforded 12 clerodane derivatives, including the following six novel ones: rel (5 S , 8 R , 9 S , 10 R )-2-oxo- ent -3-cleroden-15-oic acid, rel (5 S , 8 R , 9 S , 10 R )-2-oxo- ent -clerod-3,13-dien-15-oic acid methyl ester, (5 R , 8 R , 9 S , 10 R )- ent -3-cleroden-15-oic acid, rel (5 S , 8 R , 9 S , 10 R )- ent -clerod-3

  摘要 通过对巴西马兜铃和 A. esperanzae 的研究，获得了 12 种克莱罗丹衍生物，其中包括以下 6 种新型衍生物：rel (5 S , 8 R , 9 S , 10 R )-2-oxo-ent -3-cleroden-15-oic酸，rel (5 S , 8 R , 9 S , 10 R )-2-oxo-ent -clerod-3,13-dien-15-oic 酸甲酯, (5 R , 8 R , 9 S , 10 R )- ent -3-cleroden-15-oic acid, rel (5 S , 8 R , 9 S , 10 R )-ent -clerod-3,13-dien-15-oic acid, (2 S , 5 R , 8 R , 9 S , 10 R )-2-氢过氧化物 -3-cleroden-15-油酸甲酯和 (2 S , 5 R , 8 R , 9 S , 10
• Kolavane and kaurane diterpenes from the stem bark of Xylopia aethiopica
  作者：Choudhury M. Hasan、Terence M. Healey、Peter G. Waterman

  DOI：10.1016/0031-9422(82)80143-x

  日期：1982.1