基本信息 |
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产品名称: | 3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER |
CAS: | 859928-95-3 |
英文同义词: | VITAMIN D2-3',5'-DINITROBENZOATE ; 3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER |
MDL号: | MFCD10574882 |
氢键受体数量: | 8 |
氢键供体数量: | 0 |
Smile: | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])C |
InChi: | InChI=1S/C35H46N2O6/c1-22(2)23(3)9-10-25(5)32-15-16-33-26(8-7-17-35(32,33)6)12-13-27-20-31(14-11-24(27)4)43-34(38)28-18-29(36(39)40)21-30(19-28)37(41)42/h9-10,12-13,18-19,21-23,25,31-33H,4,7-8,11,14-17,20H2,1-3,5-6H3/b10-9+,26-12+,27-13-/t23-,25+,31-,32+,33-,35+/m0/s1 |
InChiKey: | InChIKey=LECFLFJCNVVCCI-JPKFJIBESA-N |
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