Chem
J-GLOBAL ID：200907070576239473   Nikkaji number：J2.145.236J

Epoxytwinol A

エポキシトウィノール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： C20H20O8
Molecular formula furigana： C20-H20-O8
Molecular weight： 388.372
InChI： InChI=1S/C20H20O8/c1-3-5-6-4(2)26-16(10-8(6)12(22)18-20(28-18)14(10)24)15(25-3)9-7(5)11(21)17-19(27-17)13(9)23/h3-6,13-20,23-24H,1-2H3/t3-,4-,5+,6+,13+,14+,15+,16+,17+,18+,19-,20-/m1/s1
InChI key： ISNQEMOAOOBDGE-ZMUZJQFCSA-N
SMILES： C[C@H]1O[C@@H]2[C@H]3O[C@H](C)[C@@H]([C@H]1C1=C2[C@H](O)[C@H]2O[C@H]2C1=O)C1=C3[C@H](O)[C@H]2O[C@H]2C1=O
Systematic name  (4)：
  • (2R,13R,15R)-4β,7α-ジヒドロキシ-13,15-ジメチル-2,3,4,5,6,7,8,9,11,12-デカヒドロ-2α,3α:8β,9β-ジエポキシ-5α,12α:6β,11β-ビス(エポキシメタノ)ジベンゾ[a,e]シクロオクテン-1,10-ジオン
  • 4β,4′β-シクロ-1β,1′β-ビ[(1S)-3α-メチル-6α,7α-エポキシ-8β-ヒドロキシ-3,4,6,7-テトラヒドロ-1H-2-ベンゾピラン-5(8H)-オン]
  • (1S,2S,4S,5R,7R,10S,11S,14R,16R,17S,20R,21R)-4,17-ジヒドロキシ-20,21-ジメチル-6,15,19,22-テトラオキサヘプタシクロ[9.7.2.22,10.03,9.05,7.012,18.014,16]ドコサ-3(9),12(18)-ジエン-8,13-ジオン
  • (1S,2S,4S,5R,7R,10S,11S,14R,16R,17S,20R,21R)-4,17-dihydroxy-20,21-dimethyl-6,15,19,22-tetraoxaheptacyclo[9.7.2.22,10.03,9.05,7.012,18.014,16]docosa-3(9),12(18)-diene-8,13-dione
Other name (4)：
  • (2R,13R,15R)-4β,7α-Dihydroxy-13,15-dimethyl-2,3,4,5,6,7,8,9,11,12-decahydro-2α,3α:8β,9β-diepoxy-5α,12α:6β,11β-bis(epoxymethano)dibenzo[a,e]cyclooctene-1,10-dione
  • エポキシトウィノールA
  • Epoxytwinol A
  • 4β,4′β-Cyclo-1β,1′β-bi[(1S)-3α-methyl-6α,7α-epoxy-8β-hydroxy-3,4,6,7-tetrahydro-1H-2-benzopyran-5(8H)-one]
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