Chem
J-GLOBAL ID：200907027994783543   Nikkaji number：J750.832H

Epicochlioquinone A

エピコクリオキノン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： C30H44O8
Molecular formula furigana： C30-H44-O8
Molecular weight： 532.674
InChI： InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1
InChI key： UWSYUCZPPVXEKW-UDLMDNSSSA-N
SMILES： CC[C@H](C)[C@@H](OC(=O)C)[C@@H](C)C1=CC(=O)C2=C(O[C@@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O
Systematic name  (4)：
  • (8α)-コクリオキノンA
  • (3R)-9-[(1S,2R,3S)-2-アセチルオキシ-1,3-ジメチルペンチル]-1,2,3,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12β-ヒドロキシ-3α-(1-ヒドロキシ-1-メチルエチル)-6aβ,12bα-ジメチルピラノ[3,2-a]キサンテン-8,11-ジオン
  • (2S,3R,4S)-2-[(2R,4aR,4bS,5S,10aS,12aR)-5-ヒドロキシ-2-(2-ヒドロキシプロパン-2-イル)-4a,10a-ジメチル-6,9-ジオキソ-2,3,4,4a,4b,5,6,9,10a,11,12,12a-ドデカヒドロ-1,10-ジオキサテトラフェン-8-イル]-4-メチルヘキサン-3-イル アセタート
  • (2S,3R,4S)-2-[(2R,4aR,4bS,5S,10aS,12aR)-5-hydroxy-2-(2-hydroxypropan-2-yl)-4a,10a-dimethyl-6,9-dioxo-2,3,4,4a,4b,5,6,9,10a,11,12,12a-dodecahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
Other name (6)：
  • エピコクリオキノンA
  • Epicochlioquinone A
  • (8α)-Cochlioquinone A
  • (3R)-9-[(1S,2R,3S)-2-Acetyloxy-1,3-dimethylpentyl]-1,2,3,4aβ,5,6,6a,12,12aβ,12b-decahydro-12β-hydroxy-3α-(1-hydroxy-1-methylethyl)-6aβ,12bα-dimethylpyrano[3,2-a]xanthene-8,11-dione
  • epi-コクリオキノンA
Show all
CAS registry number： 147384-57-4
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