Free Chemical Databases
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[Synonyms]
Diacetylmonocrotaline
Monocrotaline, diacetate
Monocrotaline, diacetate (ester)
Monocrotaline, diacetate (6CI)
BRN 0064212
LS-91632
4-27-00-06661 (Beilstein Handbook Reference)
20-Norcrotalanan-11,15-dione, 12,13-bis(acetyloxy)-14,19-dihydro-, (13-alpha,14-alpha)-
20-Norcrotalanan-11,15-dione, 12,13-bis(acetyloxy)-14,19-dihydro-, (13-alpha,14-alpha)- (9CI)
25490-68-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 409.43028 [g/mol] Molecular Formula C20H27NO8 XLogP 0.6 H-Bond Donor 0 H-Bond Acceptor 9 Rotatable Bond Count 4 Exact Mass 409.173667 MonoIsotopic Mass 409.173667 Topological Polar Surface Area 108 Heavy Atom Count 29 Formal Charge 0 Complexity 776 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 5 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
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