Chem
J-GLOBAL ID：200907042519485111   Nikkaji number：J2.241.405D

Virgaurenolide B

ビルガウレノリドB
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： C17H18O5
Molecular formula furigana： C17-H18-O5
Molecular weight： 302.326
InChI： InChI=1S/C17H18O5/c1-8-5-12(19)6-11-7-13-14(9(2)16(20)22-13)15(17(8,11)4)21-10(3)18/h6-8,15H,5H2,1-4H3/t8-,15+,17+/m0/s1
InChI key： QTHVZHIIEHSRBJ-STODORILSA-N
SMILES： C[C@H]1CC(=O)C=C2C=C3OC(=O)C(=C3[C@@H](OC(=O)C)[C@]12C)C
Systematic name  (3)：
  • (4S)-3,4aβ,5β-トリメチル-4β-アセトキシ-4,4a,5,6-テトラヒドロナフト[2,3-b]フラン-2,7-ジオン
  • (4S,4aR,5S)-3,4a,5-トリメチル-2,7-ジオキソ-2H,4H,4aH,5H,6H,7H-ナフト[2,3-b]フラン-4-イル アセタート
  • (4S,4aR,5S)-3,4a,5-trimethyl-2,7-dioxo-2H,4H,4aH,5H,6H,7H-naphtho[2,3-b]furan-4-yl acetate
Other name (3)：
  • (4S)-3,4aβ,5β-Trimethyl-4β-acetoxy-4,4a,5,6-tetrahydronaphtho[2,3-b]furan-2,7-dione
  • ビルガウレノリドB
  • Virgaurenolide B
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