basic_info |
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Product_Name: | GYMNEMIC ACID I |
CAS: | 122168-40-5 |
EnglishSynonyms: | GYMNEMIC ACID I |
pro_mdlNumber: | MFCD12031624 |
pro_acceptors: | 14 |
pro_donors: | 7 |
pro_smile: | C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H]([C@@]([C@@H]5CC[C@]4([C@@]3(C[C@@H]2O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)COC(=O)C)O |
InChi: | InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1 |
InChiKey: | InChIKey=VEFSVJGWJQPWFS-ZXKKMYOJSA-N |
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