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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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