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Catalog Number | ACM123064653 |
CAS Number | 123064-65-3 |
Synonyms | Elasine |
Molecular Weight | 493.6 |
InChI | InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-16(31-4)25-19(22)20(35-13(2)28)26(21(25)27)24(33-12-34-26)10-15(29)14-9-23(25,30)18(24)17(14)32-5/h14-21,29-30H,6-12H2,1-5H3/t14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1 |
InChI Key | FMXCPANAUUDARO-GUXIHRGDSA-N |
Purity | 95%+ |
Complexity | 964 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 13 |
Exact Mass | 493.2675672 |
Heavy Atom Count | 35 |
Hydrogen Bond Acceptor Count | 9 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5([C@H]31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)O)OCO5)OC(=O)C)OC)C |
Monoisotopic Mass | 493.2675672 |
PhysicalState | Powder |
Rotatable Bond Count | 5 |
Topological Polar Surface Area | 107 Ų |
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