(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene
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![(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f513c81a4aa84b648f1758fe40ea5f36.png "(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene")
(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene
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CAS No:
130504-76-6
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Formula:
C34H51IO
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Chemical Name:
(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene
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Synonyms:
3-CIBE;cholesteryl-3-iodobenzyl ether;130504-76-6;Cholesteryl-3-iodobenzyl ether;3-Cibe;DTXSID90926765;(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene;3-[(3-Iodophenyl)methoxy]cholest-5-ene;Cholest-5-ene, 3-((3-iodophenyl)methoxy)-, (3beta)-
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CAS No:
(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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]phenanthrene Basic Attributes
602.7 g/mol
602.29846 g/mol
Computed Properties
Molecular Weight:602.7
XLogP3:11.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:602.29846
Monoisotopic Mass:602.29846
Topological Polar Surface Area:9.2
Heavy Atom Count:36
Complexity:773
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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