Catalog Number
ACM113706211
Product Name
Verrucofortine
Category
Heterocyclic Organic Compound
Molecular Formula
C24H31N3O3
Canonical SMILES
CC(C)CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1
InChI
InChI=1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
InChI Key
BMRZKNPRSPWNNW-UNBWHIKDSA-N
Boiling Point
654.4ºC at 760mmHg
Appearance
Pale yellow residue
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isomeric SMILES
CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1
Monoisotopic Mass
409.23654186
Topological Polar Surface Area
69.7 Ų