methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
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methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
structure -
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CAS No:
26619-93-2
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Formula:
C21H24N2O3
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Chemical Name:
methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
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Synonyms:
Venalstonidine;26619-93-2;(-)-Venalstonidine;6,7-Epoxykopsinine;DTXSID90949454;Methyl 6,7-epoxyaspidofractinine-21-carboxylate;4H,11aH-1b,3a-Ethano-12H-oxireno(6,7)indolizino(8,1-cd)carbazole-3-carboxylic acid, 1a,2,3,9,10,12a-hexahydro-, methyl ester, (1aR,1bS,3R,3aR,8bR,11aR,12aS)-
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CAS No:
methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate Basic Attributes
352.4 g/mol
352.17869263 g/mol
Computed Properties
Molecular Weight:352.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:352.17869263
Monoisotopic Mass:352.17869263
Topological Polar Surface Area:54.1
Heavy Atom Count:26
Complexity:699
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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