Chem
J-GLOBAL ID：200907074620916041   Nikkaji number：J1.166.264A

(2E,7E)-2,7,9-Decatrienoic acid 3-cholesteryl ester

(2E,7E)-2,7,9-デカトリエン酸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/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h7-9,13,17-18,27-28,30-34H,1,10-12,14-16,19-26H2,2-6H3/b9-8+,17-13+/t28-,30?,31+,32-,33+,34+,36+,37-/m1/s1
InChI key： LICPDCGBULIULC-YELQALOLSA-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=C/CCC/C=C/C=C
Systematic name  (3)：
  • (2E,7E)-2,7,9-デカトリエン酸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 (2E,7E)-デカ-2,7,9-トリエノアート
  • (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 (2E,7E)-deca-2,7,9-trienoate
Other name (1)：
  • (2E,7E)-2,7,9-Decatrienoic acid 3-cholesteryl ester
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