(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde
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![(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/da39d7df76b64454a34a40ffd9cd4058.png "(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde")
(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde
structure -
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CAS No:
56519-07-4
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Formula:
C20H24N2O2
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Chemical Name:
(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde
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Synonyms:
(-)-Akagerine;(3aS,αE)-α-Ethylidene-1,2,3,3a,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde;(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde;Akagerine
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CAS No:
(αE)-α-Ethylidene-1,2,3,3aα,4,5,6,7-octahydro-7α-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5β-acetaldehyde Basic Attributes
324.41676
324.184
Computed Properties
Molecular Weight:324.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:324.183778013
Monoisotopic Mass:324.183778013
Topological Polar Surface Area:45.5
Heavy Atom Count:24
Complexity:520
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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