Chem
J-GLOBAL ID：200907062298502491   Nikkaji number：J34.227K

Chaparrinone

カパリノン
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： C20H26O7
Molecular formula furigana： C20-H26-O7
Molecular weight： 378.421
InChI： InChI=1S/C20H26O7/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/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
InChI key： VLYMLZRDCSQUQF-RZUZYEBMSA-N
SMILES： C[C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
Systematic name  (3)：
  • 11β,20-エポキシ-1β,11,12α-トリヒドロキシピクラサ-3-エン-2,16-ジオン
  • (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-トリヒドロキシ-6,14,18-トリメチル-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,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Other name (6)：
  • カパリノン
  • Chaparrinone
  • 11β,20-Epoxy-1β,11,12α-trihydroxypicras-3-ene-2,16-dione
  • カッパリノン
  • Chapparinone
Show all
CAS registry number： 22611-34-3
KEGG COMPOUND： C08757
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