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Catalog Number | ACM2673407-1 |
CAS Number | 2673-40-7 |
Structure | ![]() |
Synonyms | Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester |
Molecular Weight | 338.4 |
InChI | InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3-/t13-,16-,18-/m0/s1 |
InChI Key | NKTORRNHKYVXSU-XXMLWKDOSA-N |
Melting Point | 180-181 °C |
Purity | 95%+ |
Complexity | 588 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 3 |
Exact Mass | 338.16304257 |
Heavy Atom Count | 25 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | C/C=C\1/CN[C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34 |
Monoisotopic Mass | 338.16304257 |
PhysicalState | Powder |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 71.2 Ų |
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