Thalrugosine

Thalrugosine

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Catalog Number ACM33889688
CAS Number 33889-68-8
Structure
Synonyms Demethyl tetrandrine
Molecular Weight 608.7
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChI Key IIQSJHUEZBTSAT-URLMMPGGSA-N
Melting Point 212-214 °C
Purity 95%+
Complexity 963
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 2
Exact Mass 608.288637
Heavy Atom Count 45
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
Isomeric SMILES CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
Monoisotopic Mass 608.288637
PhysicalState Powder
Rotatable Bond Count 3
Topological Polar Surface Area 72.9 Ų

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