Chem
J-GLOBAL ID：200907020783279232   Nikkaji number：J6.583H

β-Peltatin

β-ペルタチン
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： C22H22O8
Molecular formula furigana： C22-H22-O8
Molecular weight： 414.410
InChI： InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
InChI key： HLBPOYVRLSXWJJ-PDSMFRHLSA-N
SMILES： COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2c(O)c3OCOc3cc12
Systematic name  (3)：
  • (5R)-5,8,8aβ,9-テトラヒドロ-10-ヒドロキシ-5-(3,4,5-トリメトキシフェニル)フロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aαH)-オン
  • (10R,11R,15R)-2-ヒドロキシ-10-(3,4,5-トリメトキシフェニル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10R,11R,15R)-2-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (5)：
  • β-ペルタチン
  • β-Peltatin
  • (5R)-5,8,8aβ,9-Tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one
  • β-ペルタチンA
  • β-Peltatin A
CAS registry number： 518-29-6
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