basic_info |
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Product_Name: | 1B,2A,3A,24-TETRAHYDROXY-12-URSEN-28-OIC ACID |
EnglishSynonyms: | PYGENIC ACID C ; TETRAHYDROXYURSENOIC ACID ; 1B,2A,3A,24-TETRAHYDROXY-12-URSEN-28-OIC ACID |
pro_mdlNumber: | MFCD07779129 |
pro_acceptors: | 6 |
pro_donors: | 5 |
pro_smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@@H]([C@H]([C@H]([C@]5(C)CO)O)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
InChi: | InChI=1S/C30H48O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(21(30)17(16)2)7-8-20-28(27,5)11-10-19-26(3,15-31)23(33)22(32)24(34)29(19,20)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19+,20+,21+,22+,23-,24-,26-,27-,28-,29+,30+/m1/s1 |
InChiKey: | InChIKey=NFPZOORPDJBGME-LCRJMXSQSA-N |
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