Chem
J-GLOBAL ID：200907075511568978   Nikkaji number：J1.166.288I

2,3,3aα,4,5,7aα-Hexahydro-1H-indene-4α-carboxylic acid 3-cholesteryl ester

2,3,3aα,4,5,7aα-ヘキサヒドロ-1H-インデン-4α-カルボン酸3-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： C37H58O2
Molecular formula furigana： C37-H58-O2
Molecular weight： 534.869
InChI： InChI=1S/C37H58O2/c1-24(2)9-6-10-25(3)32-17-18-33-31-16-15-27-23-28(19-21-36(27,4)34(31)20-22-37(32,33)5)39-35(38)30-14-8-12-26-11-7-13-29(26)30/h8,12,15,24-26,28-34H,6-7,9-11,13-14,16-23H2,1-5H3/t25-,26-,28?,29-,30-,31+,32-,33+,34+,36+,37-/m1/s1
InChI key： UBJRZIBOKLHCAW-NPJKQWHMSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)[C@@H]1CC=C[C@H]2CCC[C@@H]12
Systematic name  (3)：
  • 2,3,3aα,4,5,7aα-ヘキサヒドロ-1H-インデン-4α-カルボン酸3-コレステリル
  • (1R,3aS,3bS,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 (3aR,4R,7aR)-2,3,3a,4,5,7a-ヘキサヒドロ-1H-インデン-4-カルボキシラート
  • (1R,3aS,3bS,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 (3aR,4R,7aR)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
Other name (1)：
  • 2,3,3aα,4,5,7aα-Hexahydro-1H-indene-4α-carboxylic acid 3-cholesteryl ester
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