Carmichaenine A

Carmichaenine A

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Catalog Number ACM2065228591
CAS Number 2065228-59-1
Molecular Weight 541.7
InChI InChI=1S/C31H43NO7/c1-5-32-15-29(16-36-2)12-11-21(33)31-19-13-18-20(37-3)14-30(22(19)24(18)34,23(27(31)32)25(38-4)26(29)31)39-28(35)17-9-7-6-8-10-17/h6-10,18-27,33-34H,5,11-16H2,1-4H3/t18-,19-,20+,21+,22-,23,24+,25+,26-,27-,29+,30-,31+/m1/s1
InChI Key BKAIYZAGPZZPPF-WAFIBSPFSA-N
Purity 95%+
Complexity 973
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 12
Exact Mass 541.30395271
Heavy Atom Count 39
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
Isomeric SMILES CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)OC(=O)C7=CC=CC=C7)OC)O)COC
Monoisotopic Mass 541.30395271
PhysicalState Powder
Rotatable Bond Count 8
Topological Polar Surface Area 97.7 Ų

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