basic_info |
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| Product_Name: | 3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER |
| CAS: | 263844-80-0 |
| EnglishSynonyms: | 3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER ; 3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL |
| pro_mdlNumber: | MFCD17214840 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)CO)C)(C)C)OC(=O)C)C)C(=O)OC |
| InChi: | InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26+,27-,30-,31+,32-,33-/m0/s1 |
| InChiKey: | InChIKey=XQEGNJRCYISSOX-VKTUQBQISA-N |
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