Chem
J-GLOBAL ID：200907088740085250   Nikkaji number：J1.799.978H

5-[[4′-[[6-[(3-Methyloxetane-3-yl)methoxy]hexyl]oxy]-4-biphenylyl]oxy]pentanoic acid 3β-cholesteryl ester

5-[[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]ペンタン酸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： C55H82O6
Molecular formula furigana： C55-H82-O6
Molecular weight： 839.255
InChI： InChI=1S/C55H82O6/c1-40(2)14-13-15-41(3)49-27-28-50-48-26-21-44-36-47(29-31-54(44,5)51(48)30-32-55(49,50)6)61-52(56)16-9-12-35-60-46-24-19-43(20-25-46)42-17-22-45(23-18-42)59-34-11-8-7-10-33-57-37-53(4)38-58-39-53/h17-25,40-41,47-51H,7-16,26-39H2,1-6H3/t41-,47+,48+,49-,50+,51+,54+,55-/m1/s1
InChI key： VWRHGOSAZIUDMG-OBHCRABLSA-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)CCCCOc1ccc(cc1)c1ccc(OCCCCCCOCC2(C)COC2)cc1
Systematic name  (3)：
  • 5-[[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]ペンタン酸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 5-{[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}ペンタノアート
  • (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 5-{[4'-({6-[(3-methyloxetan-3-yl)methoxy]hexyl}oxy)-[1,1'-biphenyl]-4-yl]oxy}pentanoate
Other name (1)：
  • 5-[[4′-[[6-[(3-Methyloxetane-3-yl)methoxy]hexyl]oxy]-4-biphenylyl]oxy]pentanoic acid 3β-cholesteryl ester
Thsaurus map：
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