Chem
J-GLOBAL ID：200907082890718384   Nikkaji number：J2.685.899B

Cholestane-3β-yl 1-O,6-O-dibenzoyl-3-O,4-O-isopropylidene-β-D-psicofuranoside

コレスタン-3β-イル1-O,6-O-ジベンゾイル-3-O,4-O-イソプロピリデン-β-D-プシコフラノシド
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： C50H70O8
Molecular formula furigana： C50-H70-O8
Molecular weight： 799.102
InChI： InChI=1S/C50H70O8/c1-32(2)15-14-16-33(3)39-23-24-40-38-22-21-36-29-37(25-27-48(36,6)41(38)26-28-49(39,40)7)55-50(31-54-46(52)35-19-12-9-13-20-35)44-43(57-47(4,5)58-44)42(56-50)30-53-45(51)34-17-10-8-11-18-34/h8-13,17-20,32-33,36-44H,14-16,21-31H2,1-7H3/t33-,36?,37+,38+,39-,40+,41+,42-,43-,44-,48+,49-,50-/m1/s1
InChI key： HHFDTSLWEPKNRS-CADMKAPLSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@]1(COC(=O)c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
Systematic name  (3)：
  • コレスタン-3β-イル1-O,6-O-ジベンゾイル-3-O,4-O-イソプロピリデン-β-D-プシコフラノシド
  • [(3aR,4R,6R,6aR)-4-{[(1R,3aS,3bR,7S,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-6-[(ベンゾイルオキシ)メチル]-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]メチル ベンゾアート
  • [(3aR,4R,6R,6aR)-4-{[(1R,3aS,3bR,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-[(benzoyloxy)methyl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (1)：
  • Cholestane-3β-yl 1-O,6-O-dibenzoyl-3-O,4-O-isopropylidene-β-D-psicofuranoside
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