Chem
J-GLOBAL ID：200907069330540486   Nikkaji number：J1.799.979F

6-[[4′-[[6-[(3-Methyloxetane-3-yl)methoxy]hexyl]oxy]-4-biphenylyl]oxy]hexanoic acid 3β-cholesteryl ester

6-[[4′-[[6-[(3-メチルオキセタン-3-イル)メトキシ]ヘキシル]オキシ]-4-ビフェニリル]オキシ]ヘキサン酸3β-コレステリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C56H84O6
Molecular formula furigana： C56-H84-O6
Molecular weight： 853.282
InChI： InChI=1S/C56H84O6/c1-41(2)15-14-16-42(3)50-28-29-51-49-27-22-45-37-48(30-32-55(45,5)52(49)31-33-56(50,51)6)62-53(57)17-10-9-13-36-61-47-25-20-44(21-26-47)43-18-23-46(24-19-43)60-35-12-8-7-11-34-58-38-54(4)39-59-40-54/h18-26,41-42,48-52H,7-17,27-40H2,1-6H3/t42-,48+,49+,50-,51+,52+,55+,56-/m1/s1
InChI key： TZPCVTMFKBVFNS-GFSDASNXSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCOc1ccc(cc1)c1ccc(OCCCCCCOCC2(C)COC2)cc1
Systematic name  (3)：
  • 6-[[4′-[[6-[(3-メチルオキセタン-3-イル)メトキシ]ヘキシル]オキシ]-4-ビフェニリル]オキシ]ヘキサン酸3β-コレステリル
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル 6-{[4'-({6-[(3-メチルオキセタン-3-イル)メトキシ]ヘキシル}オキシ)-[1,1'-ビフェニル]-4-イル]オキシ}ヘキサノアート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 6-{[4'-({6-[(3-methyloxetan-3-yl)methoxy]hexyl}oxy)-[1,1'-biphenyl]-4-yl]oxy}hexanoate
Other name (1)：
  • 6-[[4′-[[6-[(3-Methyloxetane-3-yl)methoxy]hexyl]oxy]-4-biphenylyl]oxy]hexanoic acid 3β-cholesteryl ester
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