Chem
J-GLOBAL ID：200907075035603530   Nikkaji number：J716.303G

Alisol A triacetate

アリソールAトリアセタート
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： C36H56O8
Molecular formula furigana： C36-H56-O8
Molecular weight： 616.836
InChI： InChI=1S/C36H56O8/c1-20(18-27(43-22(3)38)31(33(7,8)41)44-23(4)39)24-12-16-35(10)25(24)19-26(42-21(2)37)30-34(9)15-14-29(40)32(5,6)28(34)13-17-36(30,35)11/h20,26-28,30-31,41H,12-19H2,1-11H3/t20-,26+,27+,28+,30+,31-,34+,35+,36+/m1/s1
InChI key： GKZNLEHHMNLAQH-SGNKRXEWSA-N
SMILES： C[C@H](C[C@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)O)C1=C2C[C@H](OC(=O)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Systematic name  (3)：
  • (23S,24R)-11β,23,24-トリアセトキシ-25-ヒドロキシプロトスタ-13(17)-エン-3-オン
  • (3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-(アセチルオキシ)-3a,3b,6,6,9a-ペンタメチル-7-オキソ-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-シクロペンタ[a]フェナントレン-1-イル]-3-(アセチルオキシ)-2-ヒドロキシ-2-メチルヘプタン-4-イル アセタート
  • (3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-(acetyloxy)-3a,3b,6,6,9a-pentamethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-3-(acetyloxy)-2-hydroxy-2-methylheptan-4-yl acetate
Other name (3)：
  • アリソールAトリアセタート
  • Alisol A triacetate
  • (23S,24R)-11β,23,24-Triacetoxy-25-hydroxyprotost-13(17)-en-3-one
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