Chem
J-GLOBAL ID：202007005268620877   Nikkaji number：J3.752.318F

(5Z,8Z,11Z,14Z,17Z)-3-{[(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,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}icosa-5,8,11,14,17-pentaenoic acid

(5Z,8Z,11Z,14Z,17Z)-3-{[(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,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イル]オキシ}イコサ-5,8,11,14,17-ペンタエン酸
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： C47H74O3
Molecular formula furigana： C47-H74-O3
Molecular weight： 687.106
InChI： InChI=1S/C47H74O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-39(35-45(48)49)50-40-30-32-46(5)38(34-40)26-27-41-43-29-28-42(37(4)24-22-23-36(2)3)47(43,6)33-31-44(41)46/h8-9,11-12,14-15,17-18,20-21,26,36-37,39-44H,7,10,13,16,19,22-25,27-35H2,1-6H3,(H,48,49)/b9-8-,12-11-,15-14-,18-17-,21-20-/t37-,39?,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChI key： STRWAEYEVJRZMU-IMEOQYRESA-N
SMILES： C(=O)(CC(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H](CCCC(C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)O
Systematic name  (3)：
  • (5Z,8Z,11Z,14Z,17Z)-イコサペンタエン酸3-コレステリル
  • (5Z,8Z,11Z,14Z,17Z)-3-{[(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}イコサ-5,8,11,14,17-ペンタエン酸
  • (5Z,8Z,11Z,14Z,17Z)-3-{[(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}icosa-5,8,11,14,17-pentaenoic acid
Other name (2)：
  • (5Z,8Z,11Z,14Z,17Z)-3-{[(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,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イル]オキシ}イコサ-5,8,11,14,17-ペンタエン酸
  • (5Z,8Z,11Z,14Z,17Z)-3-{[(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,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}icosa-5,8,11,14,17-pentaenoic acid
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