Chem
J-GLOBAL ID：200907091097178777   Nikkaji number：J1.138.518D

3,3′,4,4′-Tetrahydro-3α,3′β,5,5′,7-pentahydroxy-2β,7′-epoxy-2α,2′α-bis(3,4-dihydroxyphenyl)-4β,6′-bi[2H-1-benzopyran]

3,3′,4,4′-テトラヒドロ-3α,3′β,5,5′,7-ペンタヒドロキシ-2β,7′-エポキシ-2α,2′α-ビス(3,4-ジヒドロキシフェニル)-4β,6′-ビ[2H-1-ベンゾピラン]
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： C30H24O12
Molecular formula furigana： C30-H24-O12
Molecular weight： 576.510
InChI： InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2/t20-,26+,28+,29+,30-/m0/s1
InChI key： BEPYKTSNKZMROV-LRZMEQEMSA-N
SMILES： O[C@H]1Cc2c(O)c3[C@@H]4[C@@H](O)[C@@](Oc5cc(O)cc(O)c45)(Oc3cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
Systematic name  (4)：
  • (6S,15R)-11,12-ジヒドロ-6,10α-ビス(3,4-ジヒドロキシフェニル)-6α,14α-メタノ-10H,14H-[1]ベンゾピラノ[7,6-d][1,3]ベンゾジオキソシン-1,3,11β,13,15-ペンタオール
  • 3,3′,4,4′-テトラヒドロ-3α,3′β,5,5′,7-ペンタヒドロキシ-2β,7′-エポキシ-2α,2′α-ビス(3,4-ジヒドロキシフェニル)-4β,6′-ビ[2H-1-ベンゾピラン]
  • (1R,6S,7R,13S,21R)-7,13-ビス(3,4-ジヒドロキシフェニル)-8,12,14-トリオキサペンタシクロ[11.7.1.02,11.04,9.015,20]ヘンイコサ-2(11),3,9,15,17,19-ヘキサエン-3,6,17,19,21-ペンタオール
  • (1R,6S,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
Other name (2)：
  • (6S,15R)-11,12-Dihydro-6,10α-bis(3,4-dihydroxyphenyl)-6α,14α-methano-10H,14H-[1]benzopyrano[7,6-d][1,3]benzodioxocin-1,3,11β,13,15-pentol
  • 3,3′,4,4′-Tetrahydro-3α,3′β,5,5′,7-pentahydroxy-2β,7′-epoxy-2α,2′α-bis(3,4-dihydroxyphenyl)-4β,6′-bi[2H-1-benzopyran]
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