Perivine

Perivine

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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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