Cancentrine
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Cancentrine
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CAS No:
29477-90-5
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Formula:
C36H34N2O7
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Chemical Name:
Cancentrine
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Synonyms:
Spiro[benzo[2,3][1]benzoxepino[6,5,4-ghi]indolizine-12(11H),6′(6′aH)-[4,11]methanobenzofuro[3′,2′:2,3]cyclopenta[1,2-c]pyridin]-11-one,1,1′,2,2′,3′,4′,4′a,5′-octahydro-7-hydroxy-5,8,8′-trimethoxy-3′-methyl-,(4′S,4′aS,6′S,6′aS,11′bR)-;Cancentrine;(4′S,4′aS,6′S,6′aS,11′bR)-1,1′,2,2′,3′,4′,4′a,5′-Octahydro-7-hydroxy-5,8,8′-trimethoxy-3′-methylspiro[benzo[2,3][1]benzoxepino[6,5,4-ghi]indolizine-12(11H),6′(6′aH)-[4,11]methanobenzofuro[3′,2′:2,3]cyclopenta[1,2-c]pyridin]-11-one;Spiro[benzo[2,3][1]benzoxepino[6,5,4-ghi]indolizine-12(11H),6′(6′aH)-[4,11]methanobenzofuro[3′,2′:2,3]cyclopenta[1,2-c]pyridin]-11-one,1,1′,2,2′,3′,4′,4′a,5′-octahydro-7-hydroxy-5,8,8′-trimethoxy-3′-methyl-,[4′S-(4′α,4′aβ,6′β,6′aβ,11′bS*)]-;[4′S-(4′α,4′aβ,6′β,6′aβ,11′bS*)]-1,1′,2,2′,3′,4′,4′a,5′-Octahydro-7-hydroxy-5,8,8′-trimethoxy-3′-methylspiro[benzo[2,3][1]benzoxepino[6,5,4-ghi]indolizine-12(11H),6′(6′aH)-[4,11]methanobenzofuro[3′,2′:2,3]cyclopenta[1,2-c]pyridin]-11-one
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CAS No:
Computed Properties
Molecular Weight:606.7
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:606.23660143
Monoisotopic Mass:606.23660143
Topological Polar Surface Area:89.9
Heavy Atom Count:45
Complexity:1310
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes