Chem
J-GLOBAL ID：200907077069958624   Nikkaji number：J640.367K

Alopecurone A

アロペクロン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： C39H38O9
Molecular formula furigana： C39-H38-O9
Molecular weight： 650.724
InChI： InChI=1S/C39H38O9/c1-19(2)5-6-22(20(3)4)15-29-38-34(31(45)18-32(47-38)28-12-11-25(41)17-30(28)44)36(46)35-33(23-13-26(42)16-27(43)14-23)37(48-39(29)35)21-7-9-24(40)10-8-21/h5,7-14,16-17,22,32-33,37,40-44,46H,3,6,15,18H2,1-2,4H3/t22?,32-,33-,37+/m0/s1
InChI key： UVQKYQGWGMUDAI-GCOCXCTMSA-N
SMILES： CC(=CCC(Cc1c2O[C@@H]([C@H](c2c(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1O)c1cc(O)cc(O)c1)c1ccc(O)cc1)C(=C)C)C
Systematic name  (3)：
  • 2,3,6,7-テトラヒドロ-2α-(4-ヒドロキシフェニル)-3β-(3,5-ジヒドロキシフェニル)-7β-(2,4-ジヒドロキシフェニル)-4-ヒドロキシ-9-[5-メチル-2-(1-メチルエテニル)-4-ヘキセニル]-5H-フロ[3,2-g][1]ベンゾピラン-5-オン
  • (5S,6S,12S)-12-(2,4-ジヒドロキシフェニル)-6-(3,5-ジヒドロキシフェニル)-8-ヒドロキシ-5-(4-ヒドロキシフェニル)-2-[5-メチル-2-(プロパ-1-エン-2-イル)ヘキサ-4-エン-1-イル]-4,13-ジオキサトリシクロ[7.4.0.03,7]トリデカ-1(9),2,7-トリエン-10-オン
  • (5S,6S,12S)-12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-5-(4-hydroxyphenyl)-2-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4,13-dioxatricyclo[7.4.0.03,7]trideca-1(9),2,7-trien-10-one
Other name (2)：
  • アロペクロンA
  • Alopecurone A
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