108189-58-8 ((7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-)

快速询单

结构式：

7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-结构式图片|108189-58-8结构式图片

CAS号：

108189-58-8

英文名称：

分子式：

C₃₅H₄₆O₁₆

分子量：

722.730152606964

7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-(108189-58-8)名称与标识符

名称

英文别名：

7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-;7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-;1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylic acid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexa;1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylicacid, 10-(acetyloxy)-4-(hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-,dimethyl ester, [2aR-[2aa,3b,4b(1aR*,2S*,3aR*,6aS*,7S*,7aS*),4ab,5a,7aS*,8b(E),10b,10aa,10bb]]-;2D0AGQ27PT;Dihydroazadirachtin;Q27254579;108189-58-8;22,23-Dihydroazadirachtin;UNII-2D0AGQ27PT;1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)-4-((1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-;1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)-4-(hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-;YYUQYZBOLGNTQG-PLXAPUFNSA-N;

标识符

InChIKey：

YYUQYZBOLGNTQG-PLXAPUFNSA-N

Inchi：

1S/C35H46O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8,17-23,25,28,37,41-42H,9-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28-,29-,30+,31+,32+,33+,34+,35+/m1/s1

SMILES：

O1[C@@]2(C)[C@@H]3[C@]4(CCO[C@@H]4O[C@@H](C3)[C@@]12[C@]1(C)[C@@H]([C@H]2[C@H]3[C@](C(=O)OC)(CO2)[C@@H](C[C@@H]([C@]23CO[C@](C(=O)OC)([C@@H]12)O)OC(/C(=C/C)/C)=O)OC(C)=O)O)O

7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-(108189-58-8)物化性质

计算特性

精确分子量 : 722.27858538g/mol
氢键供体数量 : 3
氢键受体数量 : 16
可旋转化学键数量 : 10
同位素质量 : 722.27858538g/mol
重原子数量 : 51
复杂度 : 1610
同位素原子数量 : 0
确定原子立构中心数量 : 16
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.7
拓扑分子极性表面积 : 215Å²

7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-(108189-58-8)相关文献

1. The structure of azadirachtin; the functional groups
J. H. Butterworth,E. D. Morgan,G. R. Percy J. Chem. Soc. Perkin Trans. 1 1972 2445
2. The chemistry of azadirachtin
S. V. Ley,A. A. Denholm,A. Wood Nat. Prod. Rep. 1993 10 109
3. 3-Tigloylazadirachtol (tigloyl = 2-methylcrotonoyl), an insect growth regulating constituent of Azadirachta indica
Adolf Klenk,Michael Bokel,Wolfgang Kraus J. Chem. Soc. Chem. Commun. 1986 523
4. Triterpenoids
J. D. Connolly,R. A. Hill,B. T. Ngadjui Nat. Prod. Rep. 1994 11 91

103708-07-2(22,23-二氢-23β-甲氧基印楝素) 172334-58-6(l) 79574-61-1(1-(2-Fluoro-3-pyridinyl)ethanol) 796856-41-2(1-(2,6-二氯吡啶-4-基)哌嗪) 790667-68-4(4-(3-氨基苯氧基)哌啶-1-羧酸叔丁酯) 796857-60-8([3-AMINO-5-(TRIFLUOROMETHYL)PHENYL]BORONIC ACID) 797047-27-9(N,N'-双（乙氨羰基）-S-甲基异硫脲) 79083-67-3(（1bS，4aS，7aR，7bR，8R，9R）-7b，9,9a-三羟基-3-（羟甲基）-1,1,6,8-四甲基-1,1a，1b，4,4a，7a，7b，8,9,9a-十氢-5H-环丙并[3,4]苯并[1,2-e]azulen-5-酮)

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960化工网为您提供7H,8H-Furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylicacid,10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.108189-58-8,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:108189-58-8 国际站:108189-58-8

名称

标识符

计算特性

目录