Chem
J-GLOBAL ID：200907055141036954   Nikkaji number：J2.314.430A

Virgaurenolide A

ビルガウレノリドA
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： C20H22O5
Molecular formula furigana： C20-H22-O5
Molecular weight： 342.391
InChI： InChI=1S/C20H22O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-15(16)9-13-8-14(21)7-11(3)20(13,17)5/h6,8-9,11,17H,7H2,1-5H3/b10-6-/t11-,17+,20+/m0/s1
InChI key： MLPADAGLUVTHDI-CLPURSTRSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@@]12C
Systematic name  (3)：
  • (4S)-3,4aβ,5β-トリメチル-4β-[[(2Z)-2-メチル-2-ブテノイル]オキシ]-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 (2Z)-2-メチルブタ-2-エノアート
  • (4S,4aR,5S)-3,4a,5-trimethyl-2,7-dioxo-2H,4H,4aH,5H,6H,7H-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • (4S)-3,4aβ,5β-Trimethyl-4β-[[(2Z)-2-methyl-2-butenoyl]oxy]-4,4a,5,6-tetrahydronaphtho[2,3-b]furan-2,7-dione
  • ビルガウレノリドA
  • Virgaurenolide A
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