4,4-Dimethylcholest-5-ene structure

4,4-Dimethylcholest-5-ene

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

Also Known As: 4,4-dimethylcholest-5-ene|J1.148.714I|Cholest-5-ene,4,4-dimethyl- (7CI,8CI,9CI)|(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-met|(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene|(1R,3aS,3bS,9aR,9bS,11aR)-6,6,9a,11a-tetramethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene

CAS: 318-35-4
Molecular Formula C29H50
Molecular Weight 398.39127 g/mol
LogP 10.9
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
Rotatable Bonds 5
Exact Mass 398.39127
Monoisotopic Mass 398.39127
Heavy Atoms 29
Complexity 624.0

Chemical Identifiers

CAS Number 318-35-4
SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCCC4(C)C)C)C
InChIKey DGEGTBPATABELC-CMKWDTBOSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (4 patents) Pharmaceutical Intermediates (5 patents)

Product Overview

4,4-Dimethylcholest-5-ene (CAS 318-35-4), with molecular formula C29H50 and molecular weight 398.39127 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.

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