Chem
J-GLOBAL ID：200907002077203896
Nikkaji number：J2.119.162K
3,3′-[(Azobenzene-3,3′-diyl)bis[ethyne-1,2-diyltrimethyleneoxycarbonylimino]]bis(propanoic acid 3β-cholesteryl) ester
3,3′-[(アゾベンゼン-3,3′-ジイル)ビス[エチン-1,2-ジイルトリメチレンオキシカルボニルイミノ]]ビス(プロパン酸3β-コレステリル)
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
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
Molecular formula： C84H120N4O8
Molecular formula furigana： C84-H120-N4-O8
Molecular weight： 1313.904
InChI：
InChI=1S/C84H120N4O8/c1-57(2)21-17-23-59(5)71-35-37-73-69-33-31-63-55-67(39-45-81(63,7)75(69)41-47-83(71,73)9)95-77(89)43-49-85-79(91)93-51-15-11-13-25-61-27-19-29-65(53-61)87-88-66-30-20-28-62(54-66)26-14-12-16-52-94-80(92)86-50-44-78(90)96-68-40-46-82(8)64(56-68)32-34-70-74-38-36-72(60(6)24-18-22-58(3)4)84(74,10)48-42-76(70)82/h19-20,27-32,53-54,57-60,67-76H,11-12,15-18,21-24,33-52,55-56H2,1-10H3,(H,85,91)(H,86,92)/t59-,60-,67+,68+,69+,70+,71-,72-,73+,74+,75+,76+,81+,82+,83-,84-/m1/s1
InChI key：
SGOLCDVSVQUWTF-HFVYMRGDSA-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)CCNC(=O)OCCCC#Cc1cccc(c1)N=Nc1cccc(c1)C#CCCCOC(=O)NCCC(=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 (3)：
- 3,3′-[(アゾベンゼン-3,3′-ジイル)ビス[エチン-1,2-ジイルトリメチレンオキシカルボニルイミノ]]ビス(プロパン酸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 3-[({[5-(3-{2-[3-(5-{[(3-{[(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]オキシ}-3-オキソプロピル)カルバモイル]オキシ}ペンタ-1-イン-1-イル)フェニル]ジアゼン-1-イル}フェニル)ペンタ-4-イン-1-イル]オキシ}カルボニル)アミノ]プロパノアート
- (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 3-[({[5-(3-{2-[3-(5-{[(3-{[(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]oxy}-3-oxopropyl)carbamoyl]oxy}pent-1-yn-1-yl)phenyl]diazen-1-yl}phenyl)pent-4-yn-1-yl]oxy}carbonyl)amino]propanoate
- 3,3′-[(Azobenzene-3,3′-diyl)bis[ethyne-1,2-diyltrimethyleneoxycarbonylimino]]bis(propanoic acid 3β-cholesteryl) ester
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