11-Hydroxyhumantenine

11-Hydroxyhumantenine

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Catalog Number ACM122590049
CAS Number 122590-04-9
Synonyms N-Methyl-11-hydroxyrankinidine
IUPAC Name (7Z)-7-ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Molecular Weight 370.44
Molecular Formula C21H26N2O4
Canonical SMILES C/C=C/1\CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC)C
InChI InChI=1S/C21H26N2O4/c1-4-12-10-22(2)18-9-21(19-8-14(12)15(18)11-27-19)16-6-5-13(24)7-17(16)23(26-3)20(21)25/h4-7,14-15,18-19,24H,8-11H2,1-3H3/b12-4+
InChI Key VYZFRSLZSBLYIC-UUILKARUSA-N
Purity 98%
Appearance Solid
Complexity 667
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 370.18925731
Heavy Atom Count 27
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
Isomeric SMILES C/C=C/1\CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC)C
Monoisotopic Mass 370.18925731
PhysicalState Powder
Rotatable Bond Count 1
Topological Polar Surface Area 62.2 Ų

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