Chem
J-GLOBAL ID：200907080063638467   Nikkaji number：J1.650.841A

Soularubinone

スラルビノン
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： C25H34O10
Molecular formula furigana： C25-H34-O10
Molecular weight： 494.537
InChI： InChI=1S/C25H34O10/c1-10-6-13(26)19(29)23(5)12(10)7-14-24-9-33-25(32,21(23)24)18(28)11(2)16(24)17(20(30)34-14)35-15(27)8-22(3,4)31/h6,11-12,14,16-19,21,28-29,31-32H,7-9H2,1-5H3/t11-,12+,14-,16-,17-,18-,19-,21-,23-,24+,25+/m1/s1
InChI key： BASHMUPTLJHSQJ-ZGXGNEARSA-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@H](OC(=O)CC(C)(C)O)[C@@H]14
Systematic name  (4)：
  • 2,16-ジオキソ-11β,20-エポキシピクラサ-3-エン-1β,11,12α,15β-テトラオール15-(3-ヒドロキシ-3-メチルブタノアート)
  • 11β,20-エポキシ-1β,11,12α-トリヒドロキシ-15β-(3-ヒドロキシ-3-メチル-1-オキソブトキシ)ピクラサ-3-エン-2,16-ジオン
  • (1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-トリヒドロキシ-6,14,18-トリメチル-9,16-ジオキソ-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-8-イル 3-ヒドロキシ-3-メチルブタノアート
  • (1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl 3-hydroxy-3-methylbutanoate
Other name (4)：
  • 2,16-Dioxo-11β,20-epoxypicrasa-3-ene-1β,11,12α,15β-tetrol 15-(3-hydroxy-3-methylbutanoate)
  • 11β,20-Epoxy-1β,11,12α-trihydroxy-15β-(3-hydroxy-3-methyl-1-oxobutoxy)picrasa-3-ene-2,16-dione
  • Soularubinone
  • スラルビノン
CAS registry number： 74156-49-3
KEGG COMPOUND： C08784
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