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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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