11-Hydroxyrankinidine

11-Hydroxyrankinidine

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Catalog Number ACM122590038
CAS Number 122590-03-8
Synonyms Nb-Demethyl-11-hydroxyhumantenine
IUPAC Name (7Z)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Molecular Weight 356.42
Molecular Formula C20H24N2O4
Canonical SMILES C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC
InChI InChI=1S/C20H24N2O4/c1-3-11-9-21-16-8-20(18-7-13(11)14(16)10-26-18)15-5-4-12(23)6-17(15)22(25-2)19(20)24/h3-6,13-14,16,18,21,23H,7-10H2,1-2H3/b11-3+
InChI Key FALAMCOLIJTCTR-QDEBKDIKSA-N
Purity 98%
Appearance Solid
Complexity 637
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 356.17360725
Heavy Atom Count 26
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
Isomeric SMILES C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC
Monoisotopic Mass 356.17360725
PhysicalState Powder
Rotatable Bond Count 1
Topological Polar Surface Area 71 Ų

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