Chem
J-GLOBAL ID：200907002127010741   Nikkaji number：J2.674.686H

2-[[(1R)-1,2β,4aβ,5-Tetramethyl-1,2,3,4,4a,7,8,8aα-octahydronaphthalene-1α-yl]methyl]-6-(cholesta-5-ene-3-ylthio)hydroquinone

2-[[(1R)-1,2β,4aβ,5-テトラメチル-1,2,3,4,4a,7,8,8aα-オクタヒドロナフタレン-1α-イル]メチル]-6-(コレスタ-5-エン-3-イルチオ)ヒドロキノン
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： C48H74O2S
Molecular formula furigana： C48-H74-O2-S
Molecular weight： 715.180
InChI： InChI=1S/C48H74O2S/c1-30(2)12-10-13-31(3)39-18-19-40-38-17-16-35-27-37(21-24-46(35,7)41(38)22-25-47(39,40)8)51-42-28-36(49)26-34(44(42)50)29-48(9)33(5)20-23-45(6)32(4)14-11-15-43(45)48/h14,16,26,28,30-31,33,37-41,43,49-50H,10-13,15,17-25,27,29H2,1-9H3/t31-,33+,37?,38+,39-,40+,41+,43-,45-,46+,47-,48-/m1/s1
InChI key： LSFGQLSGLNKPMZ-BERIRHMXSA-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)Sc1cc(O)cc(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC=C3C)c1O
Systematic name  (3)：
  • 2-[[(1R)-1,2β,4aβ,5-テトラメチル-1,2,3,4,4a,7,8,8aα-オクタヒドロナフタレン-1α-イル]メチル]-6-(コレスタ-5-エン-3-イルチオ)ヒドロキノン
  • 2-{[(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]スルファニル}-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-テトラメチル-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン-1-イル]メチル}ベンゼン-1,4-ジオール
  • 2-{[(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]sulfanyl}-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diol
Other name (1)：
  • 2-[[(1R)-1,2β,4aβ,5-Tetramethyl-1,2,3,4,4a,7,8,8aα-octahydronaphthalene-1α-yl]methyl]-6-(cholesta-5-ene-3-ylthio)hydroquinone
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