Chem
J-GLOBAL ID：200907045965781017   Nikkaji number：J34.297A

Chaparrolide

カパロリド
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： C20H30O6
Molecular formula furigana： C20-H30-O6
Molecular weight： 366.454
InChI： InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1
InChI key： KBORUIMKALHADL-DXKQOFSOSA-N
SMILES： C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@@]13C
Systematic name  (3)：
  • 1β,2α,12β-トリヒドロキシピクラサン-11,16-ジオン
  • (1R,2S,3S,4S,6R,7S,9R,13S,14R,15S,17S)-3,4,15-トリヒドロキシ-2,6,14,17-テトラメチル-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカン-11,16-ジオン
  • (1R,2S,3S,4S,6R,7S,9R,13S,14R,15S,17S)-3,4,15-trihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-11,16-dione
Other name (3)：
  • カパロリド
  • Chaparrolide
  • 1β,2α,12β-Trihydroxypicrasane-11,16-dione
CAS registry number： 33512-38-8
KEGG COMPOUND： C08758
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