Chem
J-GLOBAL ID：200907066915648704   Nikkaji number：J2.258.091D

Samaderin A

サマデリンA
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： C18H18O6
Molecular formula furigana： C18-H18-O6
Molecular weight： 330.336
InChI： InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1
InChI key： BHRGGWSNTHQGED-QNHMRRABSA-N
SMILES： CC1=CC(=O)[C@]2(C)[C@H]3[C@@H](O)[C@@H]4OC(=O)[C@H]5[C@]4(C)OC[C@@]35C(=O)C=C12
Systematic name  (3)：
  • サマデリンA
  • (1R,4S,5R,8S,9R,10R,11R)-9-ヒドロキシ-4,11,14-トリメチル-3,7-ジオキサペンタシクロ[8.7.0.01,5.04,8.011,15]ヘプタデカ-13,15-ジエン-6,12,17-トリオン
  • (1R,4S,5R,8S,9R,10R,11R)-9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione
Other name (1)：
  • Samaderin A
KEGG COMPOUND： C08781
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