Chem
J-GLOBAL ID：200907097388402656   Nikkaji number：J17.976K

Bilobalide

ビロバリド
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： C15H18O8
Molecular formula furigana： C15-H18-O8
Molecular weight： 326.301
InChI： InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11+,13-,14+,15+/m0/s1
InChI key： MOLPUWBMSBJXER-PBGZIFLFSA-N
SMILES： CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@]32C(=O)O[C@H]2OC(=O)[C@H](O)[C@]132
Systematic name  (3)：
  • (5aS,3aS,8aS)-9-(1,1-ジメチルエチル)-10,10aβ-ジヒドロ-8α,9β-ジヒドロキシ-9H-フロ[2,3-b]フロ[3′,2′:2,3]シクロペンタ[1,2-c]フラン-2,4,7(3H,8H)-トリオン
  • (1S,4S,7R,8S,9R,11S)-9-tert-ブチル-7,9-ジヒドロキシ-3,5,12-トリオキサテトラシクロ[6.6.0.01,11.04,8]テトラデカン-2,6,13-トリオン
  • (1S,4S,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
Other name (5)：
  • ビロバリド
  • ビロバリドA
  • Bilobalide
  • Bilobalide A
  • (5aS,3aS,8aS)-9-(1,1-Dimethylethyl)-10,10aβ-dihydro-8α,9β-dihydroxy-9H-furo[2,3-b]furo[3′,2′:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione
CAS registry number： 33570-04-6
KEGG COMPOUND： C07605
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