Chem
J-GLOBAL ID：200907015516990004   Nikkaji number：J747.999I

Fumaric acid 1-(3β-cholesteryl)4-(4-methoxyphenyl) ester

フマル酸1-(3β-コレステリル)4-(4-メトキシフェニル)
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： C38H54O5
Molecular formula furigana： C38-H54-O5
Molecular weight： 590.845
InChI： InChI=1S/C38H54O5/c1-25(2)8-7-9-26(3)32-16-17-33-31-15-10-27-24-30(20-22-37(27,4)34(31)21-23-38(32,33)5)43-36(40)19-18-35(39)42-29-13-11-28(41-6)12-14-29/h10-14,18-19,25-26,30-34H,7-9,15-17,20-24H2,1-6H3/b19-18+/t26-,30+,31+,32-,33+,34+,37+,38-/m1/s1
InChI key： IHAHWIOMJROOTL-XIGFAMIASA-N
SMILES： COc1ccc(OC(=O)/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)cc1
Systematic name  (3)：
  • フマル酸1-(3β-コレステリル)4-(4-メトキシフェニル)
  • (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 4-メトキシフェニル (2E)-ブタ-2-エンジオアート
  • (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 4-methoxyphenyl (2E)-but-2-enedioate
Other name (1)：
  • Fumaric acid 1-(3β-cholesteryl)4-(4-methoxyphenyl) ester
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