5,6beta-Dibromo-3beta-chloro-5alpha-chloestane structure

5,6beta-Dibromo-3beta-chloro-5alpha-chloestane

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

Also Known As: KST-1A6258|3beta-Chloro-5alpha,6beta-dibromocholestane|(3|A,5|A,6|A)-5,6-dibromo-3-chlorocholestane|J2.250.920I|5,6beta-Dibromo-3beta-chloro-5alpha-chloestane|5,6.BETA.-DIBROMO-3.BETA.-CHLORO-5.ALPHA.-CHLOESTANE|5,6.|A.-DIBROMO-3.|A.-CHLORO-5.|A.-CHLOESTANE|(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene|(1R,3aS,3bS,5R,5aR,7S,9aR,9bS,11aR)-5,5a-dibromo-7-chloro-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene|3-CHLORO-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-C YCLOPENTA[A]PHENANTHREN-17-OL

CAS: 58745-01-0
Molecular Formula C27H45Br2Cl
Molecular Weight 562.15765 g/mol
LogP 11.1
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
Rotatable Bonds 5
Exact Mass 562.15765
Monoisotopic Mass 562.15765
Heavy Atoms 30
Complexity 622.0

Chemical Identifiers

CAS Number 58745-01-0
SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)Cl)C)Br)Br)C
InChIKey FTMKSVKJLVFTLW-RUXQDQFYSA-N

Product Overview

5,6beta-Dibromo-3beta-chloro-5alpha-chloestane (CAS 58745-01-0), with molecular formula C27H45Br2Cl and molecular weight 562.15765 g/mol. IUPAC: (3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.

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5,6beta-Dibromo-3beta-chloro-5alpha-chloestane is a custom synthesis product. We offer services from milligram to kilogram scale.

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