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Catalog Number | ACM2468215 |
CAS Number | 2468-21-5 |
Structure | ![]() |
Synonyms | (+)-3,4-Didehydrocoronaridine |
Molecular Weight | 336.4 |
InChI | InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1 |
InChI Key | CMKFQVZJOWHHDV-NQZBTDCJSA-N |
Melting Point | 138-140 °C |
Purity | 95%+ |
Complexity | 603 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 3 |
Exact Mass | 336.183778013 |
Heavy Atom Count | 25 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
Monoisotopic Mass | 336.183778013 |
PhysicalState | Powder |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 45.3 Ų |
COA | Download COA |
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