Chem
J-GLOBAL ID：200907053556784422   Nikkaji number：J2.466.670K

Hexadecadioic acid bis[4-(3β-cholesteryloxy)-7-oxo-1,3,5-cycloheptatriene-1-yl] ester

ヘキサデカ二酸ビス[4-(3β-コレステリルオキシ)-7-オキソ-1,3,5-シクロヘプタトリエン-1-イル]
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： C84H126O8
Molecular formula furigana： C84-H126-O8
Molecular weight： 1263.924
InChI： InChI=1S/C84H126O8/c1-57(2)25-23-27-59(5)69-39-41-71-67-37-31-61-55-65(47-51-81(61,7)73(67)49-53-83(69,71)9)89-63-33-43-75(85)77(45-35-63)91-79(87)29-21-19-17-15-13-11-12-14-16-18-20-22-30-80(88)92-78-46-36-64(34-44-76(78)86)90-66-48-52-82(8)62(56-66)32-38-68-72-42-40-70(60(6)28-24-26-58(3)4)84(72,10)54-50-74(68)82/h31-36,43-46,57-60,65-74H,11-30,37-42,47-56H2,1-10H3/t59-,60-,65+,66+,67+,68+,69-,70-,71+,72+,73+,74+,81+,82+,83-,84-/m1/s1
InChI key： FWYVDCRNIAHLIQ-IOFJSHAQSA-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)Oc1ccc(OC(=O)CCCCCCCCCCCCCCC(=O)Oc2ccc(O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@H](CC[C@H]6[C@@H]5CC=C4C3)[C@H](C)CCCC(C)C)ccc2=O)c(=O)cc1
Systematic name  (3)：
  • ヘキサデカ二酸ビス[4-(3β-コレステリルオキシ)-7-オキソ-1,3,5-シクロヘプタトリエン-1-イル]
  • ビス(4-{[(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}-7-オキソシクロヘプタ-1,3,5-トリエン-1-イル) ヘキサデカンジオアート
  • bis(4-{[(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}-7-oxocyclohepta-1,3,5-trien-1-yl) hexadecanedioate
Other name (1)：
  • Hexadecadioic acid bis[4-(3β-cholesteryloxy)-7-oxo-1,3,5-cycloheptatriene-1-yl] ester
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