basic_info |
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| Product_Name: | 10-脱乙酰巴卡丁Ⅲ |
| CAS: | 32981-86-5 ;92999-93-4 |
| 中文同义词: | 10-脱乙酰巴卡丁Ⅲ ; 10-脱乙酰基巴卡丁III ; 10-脱乙酰基巴卡丁 III (10-DAB) ; 10-脫乙酰基巴亭 III ; 10-脱乙酰基巴卡丁 III |
| EnglishSynonyms: | DESACETYLBACCATINE ; (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,9,11-TETRAHYDROXY-4A,8,13,13-TETRAMETHYL-7,11-METHANO-5H-CYCLODECA[3,4]BENZ[1,2-B]OXET-5-ONE ; 10-DEACETYLBACCATINE ; 10-DAB ; 10-DEACETYLBACCATINE III ; BACCATIN III, 10-DEACETYL- ; DEACETYLBACCATIN III, 10- ; 10-DEACETYLBACCATIN III ; 2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE HOLMIUM(III) ; 10-DEACETYLBACCATIN ; 10-DAB-III ; 10-DEACETYL BACCATINE IIII |
| pro_mdlNumber: | MFCD00132913 |
| pro_acceptors: | 10 |
| pro_donors: | 4 |
| pro_smile: | CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O |
| InChi: | InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21-,22-,24-,27+,28-,29+/m0/s1 |
| InChiKey: | InChIKey=YWLXLRUDGLRYDR-RORZEMHPSA-N |
property |
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| MeltingPoint: | 231-236℃ |
secure_info |
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| secure_wgk_germany: | 3 |
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