Chem
J-GLOBAL ID:200907014210890280
Nikkaji number:J239.399I
(+)-α-Viniferin
(+)-α-ビニフェリン
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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:
C42 H30 O9
Molecular formula furigana:
C42-H30-O9
Molecular weight:
678.693
InChI:
InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1
InChI key:
KUTVNHOAKHJJFL-ZSIJVUTGSA-N
SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]4[C@@H](Oc5cc(O)cc([C@H]6[C@@H](Oc7cc(O)cc([C@H]1c23)c67)c1ccc(O)cc1)c45)c1ccc(O)cc1
Systematic name (5):
(5R,10S,15R,16R,18S,20R)-16,18,20-トリス(4-ヒドロキシフェニル)-4,5:9,10:14,15-トリス(エポキシメタノ)-10,15-ジヒドロ-5H-トリベンゾ[a,d,g]シクロノネン-2,7,12-トリオール
(2R,2aR,7R,7aR,12S,12aS)-2,2a,7,7a,12,12a-ヘキサヒドロ-2,7,12-トリス(4-ヒドロキシフェニル)シクロノナ[1,2,3-cd:4,5,6-c′d′:7,8,9-c′′d′′]トリスベンゾフラン-4,9,14-トリオール
3β,4-[[2β-(4-ヒドロキシフェニル)-6-ヒドロキシ-2,3-ジヒドロベンゾフラン-4,3α-ジイル][2β-(4-ヒドロキシフェニル)-6-ヒドロキシ-2,3-ジヒドロベンゾフラン-4,3α-ジイル]]-2α-(4-ヒドロキシフェニル)-6-ヒドロキシ-2,3-ジヒドロベンゾフラン
(2R,3R,10R,11R,18S,19S)-3,11,19-トリス(4-ヒドロキシフェニル)-4,12,20-トリオキサヘプタシクロ[16.6.1.12,5 .110,13 .021,25 .09,27 .017,26 ]ヘプタコサ-1(25),5,7,9(27),13,15,17(26),21,23-ノナエン-7,15,23-トリオール
(2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5 .110,13 .021,25 .09,27 .017,26 ]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
Other name (5):
(2R,2aR,7R,7aR,12S,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)cyclonona[1,2,3-cd:4,5,6-c′d′:7,8,9-c′′d′′]trisbenzofuran-4,9,14-triol
(+)-α-ビニフェリン
(+)-α-Viniferin
(5R,10S,15R,16R,18S,20R)-16,18,20-Tris(4-hydroxyphenyl)-4,5:9,10:14,15-tris(epoxymethano)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene-2,7,12-triol
3β,4-[[2β-(4-Hydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran-4,3α-diyl][2β-(4-hydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran-4,3α-diyl]]-2α-(4-hydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran
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