9-硝基-1-苯基-6,7-二氢[1,4]重氮基庚英并[6,7,1-hi]吲哚-4(3H)-酮

CAS号
73986-92-2
CCD编号
CCD00250134
分子式
C30 H39 N5 O5 . C4 H6 O6
分子量
699.753

基本信息

产品名称: 9-硝基-1-苯基-6,7-二氢[1,4]重氮基庚英并[6,7,1-hi]吲哚-4(3H)-酮
CAS: 73986-92-2
中文同义词: 9-硝基-1-苯基-6,7-二氢[1,4]重氮基庚英并[6,7,1-hi]吲哚-4(3H)-酮
英文同义词: ERGOSINE, DIHYDRO-, TARTRATE ; DIHYDRO-ERGOSINE TARTRATE
MDL号: MFCD01746238
氢键受体数量: 10
氢键供体数量: 3
Smile: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O.C(C(C(=O)O)O)(C(=O)O)O
InChi: InChI=1S/C30H39N5O5.C4H6O6/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18;5-1(3(7)8)2(6)4(9)10/h5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36);1-2,5-6H,(H,7,8)(H,9,10)/t18-,20-,22-,23+,24+,29-,30+;/m1./s1
InChiKey: InChIKey=UDPYRBOUPWEPSB-GAAZFILISA-N

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