Chem
J-GLOBAL ID：200907077779567985   Nikkaji number：J1.550.051D

Simalikalactone D

シマリカラクトンD
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： C25H34O9
Molecular formula furigana： C25-H34-O9
Molecular weight： 478.538
InChI： InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m1/s1
InChI key： OKIKYYZNNZCZRX-UWGUCYGSSA-N
SMILES： CC[C@@H](C)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@@]42[C@@H](C[C@H]2C(=CC(=O)[C@@H](O)[C@]2(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O
Systematic name  (3)：
  • 1β,11β,12α-トリヒドロキシ-15β-[[(R)-2-メチルブチリル]オキシ]-13,20-エポキシピクラサ-3-エン-2,16-ジオン
  • (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-トリヒドロキシ-9,13,17-トリメチル-4,11-ジオキソ-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-3-イル (2R)-2-メチルブタノアート
  • (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl (2R)-2-methylbutanoate
Other name (3)：
  • 1β,11β,12α-Trihydroxy-15β-[[(R)-2-methylbutyryl]oxy]-13,20-epoxypicrasa-3-ene-2,16-dione
  • シマリカラクトンD
  • Simalikalactone D
CAS registry number： 35321-80-3
KEGG COMPOUND： C08783
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM