 Home > Encyclopedia > (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-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-[12-(3-iodophenyl)dodecoxy]-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-[12-(3-iodophenyl)dodecoxy]-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

CAS No:
130504-77-7
Formula:
C45H73IO
Chemical Name:
(3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-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
Synonyms:
3-CIDE;cholesteryl-12-(3-iodophenyl)dodecyl ether;130504-77-7;3-Cide;Cholesteryl-12-(3-iodophenyl)dodecyl ether;DTXSID50926766;(3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-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-{[12-(3-Iodophenyl)dodecyl]oxy}cholest-5-ene;Cholest-5-ene, 3-((12-(3-iodophenyl)dodecyl)oxy)-, (3beta)-

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(3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-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

Molecular Weight：

757.0 g/mol

Exact Mass：

756.47061 g/mol

Characteristics

PSA：

9.2 Å²

Drug Information

MeSH Entry Terms：

3-CIDE

Computed Properties

Molecular Weight:757.0
XLogP3:16.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:19
Exact Mass:756.47061
Monoisotopic Mass:756.47061
Topological Polar Surface Area:9.2
Heavy Atom Count:47
Complexity:940
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-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
Characteristics
Drug Information
Computed Properties

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