Chem
J-GLOBAL ID：200907012173618881   Nikkaji number：J37.234J

Plaunol D

プラウノールD
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： C20H22O7
Molecular formula furigana： C20-H22-O7
Molecular weight： 374.389
InChI： InChI=1S/C20H22O7/c1-10-4-16-20-9-26-18(24)19(10,7-14(22)11-2-3-25-8-11)15(20)6-12(21)5-13(20)17(23)27-16/h2-3,5,8,12,14-16,18,21-22,24H,1,4,6-7,9H2/t12-,14+,15?,16-,18-,19?,20+/m1/s1
InChI key： PNFZVLPHKKVBRI-FDISJLACSA-N
SMILES： O[C@@H](CC12[C@H](O)OC[C@]34[C@@H](CC1=C)OC(=O)C3=C[C@@H](O)CC24)c1ccoc1
Systematic name  (3)：
  • (1R,10aR)-7-[(S)-2-(3-フリル)-2-ヒドロキシエチル]-6,6aβ,7,8-テトラヒドロ-5β,8α-ジヒドロキシ-11-メチレン-1β,7β-エタノフロ[3,4-i][2]ベンゾピラン-3(5H)-オン
  • (1R,4S,9R,13R)-12-[(2S)-2-(フラン-3-イル)-2-ヒドロキシエチル]-4,13-ジヒドロキシ-11-メチリデン-8,14-ジオキサテトラシクロ[7.6.0.01,6.02,12]ペンタデカ-5-エン-7-オン
  • (1R,4S,9R,13R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-4,13-dihydroxy-11-methylidene-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadec-5-en-7-one
Other name (3)：
  • プラウノールD
  • Plaunol D
  • (1R,10aR)-7-[(S)-2-(3-Furyl)-2-hydroxyethyl]-6,6aβ,7,8-tetrahydro-5β,8α-dihydroxy-11-methylene-1β,7β-ethanofuro[3,4-i][2]benzopyran-3(5H)-one
CAS registry number： 66302-50-9
KEGG COMPOUND： C09168
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