Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate
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![Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eec7e4c95d354ac18f618f65758fefd4.png "Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate")
Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate
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CAS No:
385384-26-9
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Formula:
C23H27NO5
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Chemical Name:
Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate
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Synonyms:
1,12-Methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylic acid,3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-,methyl ester,(7aS,9R,11R,12S,13aR,13bS)-;1,12-Methanopyrano[4′,3′,2′:1,8]azuleno[4,5-a]indolizine-2-carboxylic acid,3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-,methyl ester,(7aS,9R,11R,12S,13aR,13bS)-;Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate;Daphnicyclidine F
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CAS No:
Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate Basic Attributes
397.5
397.46
Computed Properties
Molecular Weight:397.5
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:397.18892296
Monoisotopic Mass:397.18892296
Topological Polar Surface Area:76.1
Heavy Atom Count:29
Complexity:974
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (7aS,9R,11R,12S,13aR,13bS)-3,4,6,7,7a,8,10,11,12,13,13a,13b-dodecahydro-12-hydroxy-11,13b-dimethyl-14-oxo-1,12-methanopyrano[2′,3′,4′:8,1]azuleno[4,5-a]indolizine-2-carboxylate
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