Chem
J-GLOBAL ID：200907050250582304   Nikkaji number：J1.710.448I

Gnemonol A

グネモノール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： C42H32O10
Molecular formula furigana： C42-H32-O10
Molecular weight： 696.708
InChI： InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2/t29-,36?,40-,41?,42+/m0/s1
InChI key： UEEKKINQMNKIGR-XEBBLOKKSA-N
SMILES： Oc1ccc(cc1)C1Oc2cc3O[C@@H]([C@@H]4c3c(C[C@@H](c3ccc(O)cc3O)c3c(O)cc(O)cc43)c2C1c1cc(O)cc(O)c1)c1ccc(O)cc1
Systematic name  (3)：
  • 4,4′-[(2S)-5-(3,5-ジヒドロキシフェニル)-3β,4-[(3,5-ジヒドロキシ-1,2-フェニレン)[(1S)-1-(2,4-ジヒドロキシフェニル)-1,2-エタンジイル]]-2,3,5,6-テトラヒドロベンゾ[1,2-b:5,4-b′]ジフラン-2α,6-ジイル]ビス(フェノール)
  • (10S,11S,18S)-18-(2,4-ジヒドロキシフェニル)-3-(3,5-ジヒドロキシフェニル)-4,10-ビス(4-ヒドロキシフェニル)-5,9-ジオキサペンタシクロ[9.8.1.02,6.08,20.012,17]イコサ-1,6,8(20),12,14,16-ヘキサエン-14,16-ジオール
  • (10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol
Other name (3)：
  • 4,4′-[(2S)-5-(3,5-Dihydroxyphenyl)-3β,4-[(3,5-dihydroxy-1,2-phenylene)[(1S)-1-(2,4-dihydroxyphenyl)-1,2-ethanediyl]]-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b′]difuran-2α,6-diyl]bis(phenol)
  • グネモノールA
  • Gnemonol A
Thsaurus map：
Thesaurus Map

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