Chem
J-GLOBAL ID：200907011374550731   Nikkaji number：J762.719J

Arisugacin B

アリスガシン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： C27H30O7
Molecular formula furigana： C27-H30-O7
Molecular weight： 466.530
InChI： InChI=1S/C27H30O7/c1-23(2)11-10-21(28)25(4)26(23,30)13-12-24(3)27(25,31)15-18-20(34-24)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-11,14,30-31H,12-13,15H2,1-5H3/t24-,25+,26-,27-/m1/s1
InChI key： FNHNBWWIASUEQH-HVWQDESWSA-N
SMILES： COc1ccc(cc1)c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1
Systematic name  (3)：
  • 4a,6,6a,12,12a,12b-ヘキサヒドロ-4aβ,12aβ-ジヒドロキシ-9-(4-メトキシフェニル)-4,4,6aα,12bα-テトラメチル-4H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-1,11(5H)-ジオン
  • (5aR,7aR,11aS,11bS)-7a,11b-ジヒドロキシ-3-(4-メトキシフェニル)-5a,8,8,11a-テトラメチル-1,5a,6,7,7a,8,11,11a,11b,12-デカヒドロ-2,5-ジオキサテトラフェン-1,11-ジオン
  • (5aR,7aR,11aS,11bS)-7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-1,5a,6,7,7a,8,11,11a,11b,12-decahydro-2,5-dioxatetraphene-1,11-dione
Other name (3)：
  • アリスガシンB
  • Arisugacin B
  • 4a,6,6a,12,12a,12b-Hexahydro-4aβ,12aβ-dihydroxy-9-(4-methoxyphenyl)-4,4,6aα,12bα-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione
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