[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
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[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
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CAS No:
124784-15-2
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Formula:
C36H53IO2
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Chemical Name:
[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
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Synonyms:
2,6-DIBCE;2,6-dimethyl-3-iodobenzoate cholesterol ester;cholesteryl 2,6-dimethyl-3-iodobenzoate;124784-15-2;2,6-Dibce;Cholesteryl 2,6-dimethyl-3-iodobenzoate;2,6-Dimethyl-3-iodobenzoate cholesterol ester;DTXSID20924931;Cholest-5-en-3-yl 3-iodo-2,6-dimethylbenzoate;Cholest-5-en-3-ol (3beta)-, 3-iodo-2,6-dimethylbenzoate
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CAS No:
[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate Basic Attributes
644.7 g/mol
644.30903 g/mol
Computed Properties
Molecular Weight:644.7
XLogP3:12.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:644.30903
Monoisotopic Mass:644.30903
Topological Polar Surface Area:26.3
Heavy Atom Count:39
Complexity:910
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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