(3aS,4R,6R,7R,7aR)-6-[[(3aS,4R,6R,7R,7aS)-2,2-dimethyl-7-phenylmethoxy-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]-4-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol | 537004-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aS,4R,6R,7R,7aR)-6-[[(3aS,4R,6R,7R,7aS)-2,2-dimethyl-7-phenylmethoxy-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]-4-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
• CAS: 537004-88-9
• 化学式: C₄₁H₆₂O₁₇
• 分子量: 826.933
• InChiKey: HXBIKKIAYYJDKL-FORHDZBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  168
• 氢给体数：
  1
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  (3aS,4R,6R,7R,7aR)-6-[[(3aS,4R,6R,7R,7aS)-2,2-dimethyl-7-phenylmethoxy-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]-4-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol 在 溶剂黄146 作用下， 以 吡啶 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 [(3aS,4R,6R,7R,7aS)-6-[[(3aS,4R,6R,7R,7aS)-2,2-dimethyl-7-phenylmethoxy-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
  参考文献：
  名称：

  Synthesis of an arabinogalactan-type octa- and two isomeric nonasaccharides. Suitable tuning of protecting groups

  摘要：

  An arabinogalactan-type double-branched octa- and two isomeric nonasaccharides were synthesized using the (2-naphthyl)methyl (NAP) and the acid sensitive but base stable (methoxydimethyl)methyl (MIP) protecting groups. The beta-(1-->6)-linked hexagalactan skeleton was synthesized having a benzyl and a (2-naphthyl)methyl (NAP) group at positions 2 of the second and the penultimate galactopyranosyl units, and this made possible sequential introduction Of U-L-arabinofuranosyl or alpha-L-arabinofuranosyl-(1-->5)-alpha-L-arabinofuranosyl side chains. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02723-5
• 作为产物：
  描述：

  acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-[7-benzyloxy-2,2-dimethyl-6-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b;4',5'-d]pyran-5-ylmethoxy)-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-ylmethoxy]-tetrahydro-pyran-3-yl ester 在 sodium methylate 、 对甲苯磺酸 作用下， 反应 7.0h， 生成 (3aS,4R,6R,7R,7aR)-6-[[(3aS,4R,6R,7R,7aS)-2,2-dimethyl-7-phenylmethoxy-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]-4-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
  参考文献：
  名称：

  Synthesis of an arabinogalactan-type octa- and two isomeric nonasaccharides. Suitable tuning of protecting groups

  摘要：

  An arabinogalactan-type double-branched octa- and two isomeric nonasaccharides were synthesized using the (2-naphthyl)methyl (NAP) and the acid sensitive but base stable (methoxydimethyl)methyl (MIP) protecting groups. The beta-(1-->6)-linked hexagalactan skeleton was synthesized having a benzyl and a (2-naphthyl)methyl (NAP) group at positions 2 of the second and the penultimate galactopyranosyl units, and this made possible sequential introduction Of U-L-arabinofuranosyl or alpha-L-arabinofuranosyl-(1-->5)-alpha-L-arabinofuranosyl side chains. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02723-5