Dehydroaglaiastatin

Dehydroaglaiastatin

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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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