Chem
J-GLOBAL ID：200907093824246384   Nikkaji number：J21.167B

Ailanthone

アイラントン
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： C20H24O7
Molecular formula furigana： C20-H24-O7
Molecular weight： 376.405
InChI： InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChI key： WBBVXGHSWZIJST-RLQYZCPESA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]53[C@@H](C[C@@H]12)OC(=O)C[C@H]5C(=C)[C@H]4O
Systematic name  (3)：
  • 11β,20-エポキシ-1β,11,12α-トリヒドロキシピクラサ-3,13(21)-ジエン-2,16-ジオン
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-トリヒドロキシ-14,18-ジメチル-6-メチリデン-3,10-ジオキサペンタシクロ[9.8.0.01,7.04,19.013,18]ノナデカ-14-エン-9,16-ジオン
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Other name (3)：
  • アイラントン
  • Ailanthone
  • 11β,20-Epoxy-1β,11,12α-trihydroxypicrasa-3,13(21)-diene-2,16-dione
CAS registry number： 981-15-7
KEGG COMPOUND： C08747
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