Chem
J-GLOBAL ID:200907074884243266   Nikkaji number:J1.441.710I

12-(Cholesta-5-ene-3-yl)-3,6,9,12-tetraoxadodecane-1-yl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside

12-(コレスタ-5-エン-3-イル)-3,6,9,12-テトラオキサドデカン-1-イル2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
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: C43H75NO10
Molecular formula furigana: C43-H75-N-O10
Molecular weight: 766.070
InChI: InChI=1S/C43H75NO10/c1-28(2)8-7-9-29(3)34-12-13-35-33-11-10-31-26-32(14-16-42(31,5)36(33)15-17-43(34,35)6)52-24-22-50-20-18-49-19-21-51-23-25-53-41-38(44-30(4)46)40(48)39(47)37(27-45)54-41/h10,28-29,32-41,45,47-48H,7-9,11-27H2,1-6H3,(H,44,46)/t29-,32?,33+,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-/m1/s1
InChI key: BMSWAYHRHBTNIP-KHYJSYDTSA-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)OCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C
Systematic name  (3):
  • 12-(コレスタ-5-エン-3-イル)-3,6,9,12-テトラオキサドデカン-1-イル2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • N-[(2R,3R,4R,5S,6R)-2-(2-{2-[2-(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]オキシ}エトキシ)エトキシ]エトキシ}エトキシ)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
  • N-[(2R,3R,4R,5S,6R)-2-(2-{2-[2-(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]oxy}ethoxy)ethoxy]ethoxy}ethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1):
  • 12-(Cholesta-5-ene-3-yl)-3,6,9,12-tetraoxadodecane-1-yl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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