A-nor-B-homo-olean-10,12-diene-3β,11α,28-triol | 850145-83-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: A-nor-B-homo-olean-10,12-diene-3β,11α,28-triol
• 英文别名: (1S,2R,5R,7S,9S,11R,12R,15S,20S)-20-(hydroxymethyl)-1,2,6,6,17,17-hexamethyl-10-methylidenepentacyclo[12.8.0.02,11.05,9.015,20]docos-13-ene-7,12-diol
• CAS: 850145-83-4
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: MZPDWSBJXGWSQQ-NAURDCNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  A-nor-B-homo-olean-10,12-diene-3β,11α,28-triol 、 (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以3.0 mg的产率得到
  参考文献：
  名称：

  Justiciosides E–G, triterpenoidal glycosides with an unusual skeleton from Justicia betonica

  摘要：

  Three new triterpenoidal glucosides, justiciosides E, F and G, were isolated from the aerial portion of Justicia betonica. Their structures were established through chemical and spectroscopic analyses, and showed an unusual A-nor-B-homo oleanan-12-ene skeleton type for the aglycone moiety as A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranoside, A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranoside, and 11alpha-methoxy-A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranosyl-(1 --> 2)beta-D-glucopyranoside, respectively. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.072
• 作为产物：
  描述：

  A-nor-B-homo-olean-10,12-diene-3β,11α,28-triol 28-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside 在 hesperidinase 作用下， 以 甲醇 、 水 为溶剂， 反应 168000.0h， 以17 mg的产率得到A-nor-B-homo-olean-10,12-diene-3β,11α,28-triol
  参考文献：
  名称：

  Justiciosides E–G, triterpenoidal glycosides with an unusual skeleton from Justicia betonica

  摘要：

  Three new triterpenoidal glucosides, justiciosides E, F and G, were isolated from the aerial portion of Justicia betonica. Their structures were established through chemical and spectroscopic analyses, and showed an unusual A-nor-B-homo oleanan-12-ene skeleton type for the aglycone moiety as A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranoside, A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranoside, and 11alpha-methoxy-A-nor-B-homo-oleanan-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1 --> 2)-beta-D-glucopyranosyl-(1 --> 2)beta-D-glucopyranoside, respectively. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.072