Chem
J-GLOBAL ID：200907008051040440   Nikkaji number：J2.766.055J

Purpureacin-1

プルプレアシン1
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： C37H66O8
Molecular formula furigana： C37-H66-O8
Molecular weight： 638.927
InChI： InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
InChI key： HKMBLJVHVBJAIH-UHFFFAOYSA-N
SMILES： CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1
Systematic name  (3)：
  • 5-メチル-3-[2-ヒドロキシ-9-[5-[1,4-ジヒドロキシ-4-[5-(1-ヒドロキシウンデシル)テトラヒドロフラン-2-イル]ブチル]テトラヒドロフラン-2-イル]ノニル]-2(5H)-フラノン
  • 3-[9-(5-{1,4-ジヒドロキシ-4-[5-(1-ヒドロキシウンデシル)オキソラン-2-イル]ブチル}オキソラン-2-イル)-2-ヒドロキシノニル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • 3-[9-(5-{1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl}oxolan-2-yl)-2-hydroxynonyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (3)：
  • 5-Methyl-3-[2-hydroxy-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]nonyl]-2(5H)-furanone
  • Purpureacin-1
  • プルプレアシン1
CAS registry number： 150134-21-7
KEGG COMPOUND： C08505
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