(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one
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![(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9282e87ffc2b48758492dc6a7ce9a774.png "(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one")
(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one
structure -
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CAS No:
111300-81-3
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Formula:
C26H43NO2
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Chemical Name:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one
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Synonyms:
6-azacholest-4-en-3-ol-7-one;6-azacholesterol;111300-81-3;6-Azacholest-4-en-3-ol-7-one;DTXSID30912102;9a,11a-Dimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-4,7-diol
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CAS No:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one Basic Attributes
401.6 g/mol
401.329379614 g/mol
Computed Properties
Molecular Weight:401.6
XLogP3:6.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:401.329379614
Monoisotopic Mass:401.329379614
Topological Polar Surface Area:49.3
Heavy Atom Count:29
Complexity:670
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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