basic_info |
|
| Product_Name: | 二环2.2.1庚烷,2,2-二甲氧基-1,7,7-三甲基-, (1S,4S)- |
| CAS: | 128441-18-9 |
| 中文同义词: | 二环2.2.1庚烷,2,2-二甲氧基-1,7,7-三甲基-, (1S,4S)- |
| EnglishSynonyms: | DECAPLANIN |
| pro_mdlNumber: | MFCD00909858 |
| pro_acceptors: | 37 |
| pro_donors: | 21 |
| pro_smile: | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@@H](NC(=O)[C@H]([C@@H](c1ccc(cc1)O4)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)CO)O)O)O)O)O |
| InChi: | InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)/t26-,27-,37?,38-,44+,46+,48-,49+,50+,51+,52-,53-,54+,55+,56+,57-,58+,59+,61+,62-,70+,71-,72-/m0/s1 |
| InChiKey: | InChIKey=SJSZMXQSCZCGFO-SNXYQCJASA-N |
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