Chem
J-GLOBAL ID：200907068094348203   Nikkaji number：J993.389A

4-[(4-Butoxyphenyl)azo]benzoic acid 3α-cholesteryl ester

4-[(4-ブトキシフェニル)アゾ]安息香酸3α-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： C44H62N2O3
Molecular formula furigana： C44-H62-N2-O3
Molecular weight： 666.991
InChI： InChI=1S/C44H62N2O3/c1-7-8-28-48-36-19-17-35(18-20-36)46-45-34-15-12-32(13-16-34)42(47)49-37-24-26-43(5)33(29-37)14-21-38-40-23-22-39(31(4)11-9-10-30(2)3)44(40,6)27-25-41(38)43/h12-20,30-31,37-41H,7-11,21-29H2,1-6H3/t31-,37-,38+,39-,40+,41+,43+,44-/m1/s1
InChI key： RZOREYRNYDARPU-RPDQEHANSA-N
SMILES： CCCCOc1ccc(cc1)N=Nc1ccc(cc1)C(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
Systematic name  (4)：
  • 4-[(4-ブトキシフェニル)アゾ]安息香酸3α-コレステリル
  • 4′-ブトキシアゾベンゼン-4-カルボン酸コレスタ-5-エン-3α-イル
  • (1R,3aS,3bS,7R,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 4-[2-(4-ブトキシフェニル)ジアゼン-1-イル]ベンゾアート
  • (1R,3aS,3bS,7R,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 4-[2-(4-butoxyphenyl)diazen-1-yl]benzoate
Other name (2)：
  • 4-[(4-Butoxyphenyl)azo]benzoic acid 3α-cholesteryl ester
  • 4′-Butoxyazobenzene-4-carboxylic acid cholest-5-en-3α-yl ester
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