Homobatrachotoxin
-
Homobatrachotoxin
structure -
-
CAS No:
23509-17-3
-
Formula:
C32H44N2O6
-
Chemical Name:
Homobatrachotoxin
-
Synonyms:
1H-Pyrrole-3-carboxylic acid,2-ethyl-4-methyl-,(1S)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-9,12-dihydroxy-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl ester;Homobatrachotoxin;Batrachotoxinin A,20-(2-ethyl-4-methyl-1H-pyrrole-3-carboxylate);(1S)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-1,2,3,4,7a,8,9,10,11,11a,12,13-Dodecahydro-9,12-dihydroxy-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;Batrachotoxinin A 20α-(2-ethyl-4-methylpyrrole-3-carboxylate);1H-Pyrrole-3-carboxylic acid,2-ethyl-4-methyl-,1-(1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-9,12-dihydroxy-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl ester,[5aR-[5aα,7aβ,9α,11aβ,11bα,12α,13aα,14(S*)]]-;73261-67-3
-
CAS No:
Computed Properties
Molecular Weight:552.7
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:552.31993713
Monoisotopic Mass:552.31993713
Topological Polar Surface Area:104
Heavy Atom Count:40
Complexity:1160
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation