Chem
J-GLOBAL ID：200907018825339945   Nikkaji number：J832.794G

Alismaketone A 23-acetate

アリスマケトンA23-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： C32H50O6
Molecular formula furigana： C32-H50-O6
Molecular weight： 530.746
InChI： InChI=1S/C32H50O6/c1-17(14-23(37-18(2)33)27-29(5,6)38-27)19-10-12-31(8)20(19)15-21(34)25-30(7)16-22(35)26(36)28(3,4)24(30)11-13-32(25,31)9/h17,21,23-27,34,36H,10-16H2,1-9H3/t17-,21+,23+,24+,25+,26-,27-,30+,31+,32+/m1/s1
InChI key： WPCSTBUBSOWONP-RXWZDZOJSA-N
SMILES： C[C@H](C[C@H](OC(=O)C)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC(=O)[C@@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Systematic name  (3)：
  • (8α,9β,14β,23S,24R)-3α,11β-ジヒドロキシ-23-アセトキシ-24,25-エポキシダンマラ-13(17)-エン-2-オン
  • (1S,3R)-3-[(3aR,3bS,5aR,7S,9aS,9bS,10S)-7,10-ジヒドロキシ-3a,3b,6,6,9a-ペンタメチル-8-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]-1-[(2R)-3,3-ジメチルオキシラン-2-イル]ブチル アセタート
  • (1S,3R)-3-[(3aR,3bS,5aR,7S,9aS,9bS,10S)-7,10-dihydroxy-3a,3b,6,6,9a-pentamethyl-8-oxo-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl acetate
Other name (3)：
  • アリスマケトンA23-アセタート
  • Alismaketone A 23-acetate
  • (8α,9β,14β,23S,24R)-3α,11β-Dihydroxy-23-acetoxy-24,25-epoxydammar-13(17)-en-2-one
Thsaurus map：
Thesaurus Map

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