basic_info |
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Product_Name: | BRYOSTATIN 3 |
CAS: | 87370-86-3 |
EnglishSynonyms: | BRYOSTATIN 3 |
pro_mdlNumber: | MFCD09838098 |
pro_acceptors: | 17 |
pro_donors: | 4 |
pro_smile: | CCC/C=C/C=C/C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]3C[C@@H](OC(=O)C[C@@H](C[C@@H]4C[C@@H](C([C@@](O4)(C[C@@H]5C/C(=C/C(=O)OC)/C[C@@H](O5)/C=C/C([C@@]1(O3)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O |
InChi: | InChI=1S/C46H64O17/c1-9-10-11-12-13-14-37(50)61-42-33-23-40(53)60-41(33)35-24-34(26(2)47)59-39(52)21-29(49)20-31-22-36(57-27(3)48)44(6,7)45(54,62-31)25-32-18-28(19-38(51)56-8)17-30(58-32)15-16-43(4,5)46(42,55)63-35/h11-16,19,23,26,29-32,34-36,41-42,47,49,54-55H,9-10,17-18,20-22,24-25H2,1-8H3/b12-11+,14-13+,16-15+,28-19+/t26-,29-,30+,31-,32+,34-,35-,36+,41+,42+,45+,46-/m1/s1 |
InChiKey: | InChIKey=BSNHYLUEHJOXFN-HBUIWOJHSA-N |
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