Chem
J-GLOBAL ID：200907082563686371   Nikkaji number：J34.225D

Bruceine D

ブルセイン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： C20H26O9
Molecular formula furigana： C20-H26-O9
Molecular weight： 410.419
InChI： InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
InChI key： JBDMZGKDLMGOFR-KQSRGDCESA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
Systematic name  (3)：
  • 13,20-エポキシ-1β,11β,12α,14,15β-ペンタヒドロキシピクラサ-3-エン-2,16-ジオン
  • (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-ペンタヒドロキシ-9,13,17-トリメチル-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-4,11-ジオン
  • (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Other name (3)：
  • ブルセインD
  • Bruceine D
  • 13,20-Epoxy-1β,11β,12α,14,15β-pentahydroxypicras-3-ene-2,16-dione
CAS registry number： 21499-66-1
KEGG COMPOUND： C08752
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