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Catalog Number | ACM60314898 |
CAS Number | 60314-89-8 |
Synonyms | (16E,19E)-16,17,19,20-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester |
Molecular Weight | 366.5 |
InChI | InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13,17,20,23H,9-12H2,1-3H3/b14-4-,18-13-/t17-,20-/m0/s1 |
InChI Key | VAMJZLUOKJRHOW-XEASWFAXSA-N |
Purity | 95%+ |
Complexity | 629 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 2 |
Exact Mass | 366.1943427 |
Heavy Atom Count | 27 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)NC4=CC=CC=C34 |
Monoisotopic Mass | 366.1943427 |
PhysicalState | Powder |
Rotatable Bond Count | 4 |
Topological Polar Surface Area | 54.6 Ų |
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