Chem
J-GLOBAL ID：201007006582530865   Nikkaji number：J2.813.773G

2-Oxo-2H-pyran-4,6-dicarboxylic acid bis[2-[[(3β-cholesteryloxy)carbonyl]oxy]ethyl] ester

2-オキソ-2H-ピラン-4,6-ジカルボン酸ビス[2-[[(3β-コレステリルオキシ)カルボニル]オキシ]エチル]
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： C67H100O12
Molecular formula furigana： C67-H100-O12
Molecular weight： 1097.525
InChI： InChI=1S/C67H100O12/c1-41(2)13-11-15-43(5)52-21-23-54-50-19-17-46-39-48(25-29-64(46,7)56(50)27-31-66(52,54)9)77-62(71)75-35-33-73-60(69)45-37-58(79-59(68)38-45)61(70)74-34-36-76-63(72)78-49-26-30-65(8)47(40-49)18-20-51-55-24-22-53(44(6)16-12-14-42(3)4)67(55,10)32-28-57(51)65/h17-18,37-38,41-44,48-57H,11-16,19-36,39-40H2,1-10H3/t43-,44-,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,64+,65+,66-,67-/m1/s1
InChI key： IAUQLHZOSKXADO-XVVDIQIRSA-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)OCCOC(=O)c1cc(oc(=O)c1)C(=O)OCCOC(=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)：
  • 2-オキソ-2H-ピラン-4,6-ジカルボン酸ビス[2-[[(3β-コレステリルオキシ)カルボニル]オキシ]エチル]
  • 4,6-ビス({2-[({[(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}カルボニル)オキシ]エチル}) 2-オキソ-2H-ピラン-4,6-ジカルボキシラート
  • 4,6-bis({2-[({[(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}carbonyl)oxy]ethyl}) 2-oxo-2H-pyran-4,6-dicarboxylate
Other name (1)：
  • 2-Oxo-2H-pyran-4,6-dicarboxylic acid bis[2-[[(3β-cholesteryloxy)carbonyl]oxy]ethyl] ester
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