Chem
J-GLOBAL ID：200907002531242745   Nikkaji number：J811.450A

Ilimaquinone epoxide

イリマキノンエポキシド
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： C22H30O5
Molecular formula furigana： C22-H30-O5
Molecular weight： 374.477
InChI： InChI=1S/C22H30O5/c1-13-7-9-21(3)17(6-5-8-22(21)12-27-22)20(13,2)11-14-18(24)15(23)10-16(26-4)19(14)25/h10,13,17,24H,5-9,11-12H2,1-4H3/t13-,17-,20+,21-,22-/m0/s1
InChI key： UJKZGHMXPUKAET-FCHUEIHQSA-N
SMILES： COC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC[C@@]23CO2)C1=O)O
Systematic name  (3)：
  • 3-[[(1R,4aα)-5,6β,8aβ-トリメチルスピロ[デカリン-1,2′-オキシラン]-5α-イル]メチル]-2-ヒドロキシ-5-メトキシ-1,4-ベンゾキノン
  • 3-{[(1R,4aS,5R,6S,8aS)-5,6,8a-トリメチル-オクタヒドロ-2H-スピロ[ナフタレン-1,2'-オキシラン]-5-イル]メチル}-2-ヒドロキシ-5-メトキシシクロヘキサ-2,5-ジエン-1,4-ジオン
  • 3-{[(1R,4aS,5R,6S,8aS)-5,6,8a-trimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]methyl}-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Other name (3)：
  • イリマキノンエポキシド
  • Ilimaquinone epoxide
  • 3-[[(1R,4aα)-5,6β,8aβ-Trimethylspiro[decalin-1,2′-oxiran]-5α-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
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