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Catalog Number | ACM155595930-1 |
CAS Number | 155595-93-0 |
Molecular Weight | 524.6 |
InChI | InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1 |
InChI Key | YCIPQJTZJGUXND-JZRGNDHQSA-N |
Purity | 95%+ |
Complexity | 1050 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 3 |
Exact Mass | 524.19473662 |
Heavy Atom Count | 39 |
Hydrogen Bond Acceptor Count | 7 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | COC1=CC=C(C=C1)[C@]23[C@@H](C4=C([C@]2(C5=C(O3)C=C(C=C5OC)OC)O)N=C6CCCN6C4=O)C7=CC=CC=C7 |
Monoisotopic Mass | 524.19473662 |
PhysicalState | Powder |
Rotatable Bond Count | 5 |
Topological Polar Surface Area | 89.8 Ų |
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