basic_info |
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Product_Name: | 3BETA-ACETOXYBETULINIC ACID |
CAS: | 10376-50-8 |
EnglishSynonyms: | 3-O-ACETYL-BETULINIC ACID ; 3BETA-ACETOXYBETULINIC ACID ; 3-ACETYLOXY-(3BETA)-LUP-20(29)-EN-28-OIC ACID |
pro_mdlNumber: | MFCD04972177 |
pro_acceptors: | 4 |
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)C)C)(C)C)OC(=O)C)C)C(=O)O |
InChi: | InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1 |
InChiKey: | InChIKey=ACWNTJJUZAIOLW-BWXYOZBYSA-N |
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