9-O-Methylstecepharine
AlkaPlorer ID: AK000018
Synonym: None
IUPAC Name: (7S,13aS)-2,3,9,10-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-1-ol;perchlorate
Structure
SMILES: C[N@@+]12CCC3=CC(=C(C(=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)OC)O)OC)OC.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C22H27NO5.ClHO4/c1-23-9-8-14-11-18(26-3)22(28-5)20(24)19(14)16(23)10-13-6-7-17(25-2)21(27-4)15(13)12-23;2-1(3,4)5/h6-7,11,16H,8-10,12H2,1-5H3;(H,2,3,4,5)/t16-,23-;/m0./s1
InChIKey: WIVSHXSJBQYHTC-KYRGBVPUSA-N
Source
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Properties Information
Molecule Weight: 485.91700000000026
TPSA？: 149.39000000000001
MolLogP？: -1.5292999999999966
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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