化工网/ 结构式搜索/ Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI)结构式

Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI)结构式

Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI)结构式图片|91197-54-5结构式图片 查看91197-54-5大图 英文名称:Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI)
CAS No.:91197-54-5
分子式: C36H39NO11
分子量:661.69496
如需查看该化合物的详细物理属性、别名、危化属性、合成路线等,可点击:91197-54-5

Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI) 数据

Mol:

   1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    2.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8590    4.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    2.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9997    1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2150    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6450    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5043    8.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2899    6.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   10.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515    9.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    7.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627   10.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   10.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   11.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17  3  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 33  2  0  0  0  0
 20 40  1  0  0  0  0
 40 14  1  0  0  0  0
 40 41  1  6  0  0  0
 19 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 19 46  1  0  0  0  0
 18 46  1  1  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END

                
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Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI) Smile 编码: OCC1[C@@H](O)[C@@]2(O)[C@@H](C=C(C)C2=O)[C@]3(O)[C@@H](C=1)[C@H]4[C@]([C@H](OC(=O)C5C(=CC=CC=5)NC(=O)C6C(O)=CC=CC=6)[C@H]3C)(OC(C)=O)C4(C)C

Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI) InChi 编码: InChI=1S/C36H39NO11/c1-17-14-26-34(45)18(2)30(47-32(44)21-10-6-8-12-24(21)37-31(43)22-11-7-9-13-25(22)40)36(48-19(3)39)27(33(36,4)5)23(34)15-20(16-38)29(42)35(26,46)28(17)41/h6-15,18,23,26-27,29-30,38,40,42,45-46H,16H2,1-5H3,(H,37,43)/t18-,23+,26+,27-,29-,30-,34-,35-,36-/m1/s1

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Benzoic acid,2-[(2-hydroxybenzoyl)amino]-,(1aR,1bS,4R,4aS,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester (9CI)生产厂家

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