Chem
J-GLOBAL ID：200907094656846903
Nikkaji number：J1.826.360B
(6R)-1β,7β-Bis(4-hydroxyphenyl)-6α-[2-hydroxy-5-[(5R)-5β,11β-(4-hydroxybenzylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-10β-yl]phenyl]-1,6,7,11bβ-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
(6R)-1β,7β-ビス(4-ヒドロキシフェニル)-6α-[2-ヒドロキシ-5-[(5R)-5β,11β-(4-ヒドロキシベンジリデン)-10,11-ジヒドロ-5H-ジベンゾ[a,d]シクロヘプテン-10β-イル]フェニル]-1,6,7,11bβ-テトラヒドロベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-4,8,10-トリオール
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
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
Molecular formula： C56H42O8
Molecular formula furigana： C56-H42-O8
Molecular weight： 842.944
InChI：
InChI=1S/C56H42O8/c57-32-16-9-28(10-17-32)48-51(42-25-36(61)27-46-53(42)55(43-24-35(60)26-45(63)52(43)48)56(64-46)30-13-20-34(59)21-14-30)41-23-31(15-22-44(41)62)47-37-5-1-2-6-38(37)50-39-7-3-4-8-40(39)54(47)49(50)29-11-18-33(58)19-12-29/h1-27,47-51,54-63H/t47-,48-,49?,50+,51+,54+,55+,56-/m1/s1
InChI key：
CJVRCVGPZPAJRS-PLUVQVJUSA-N
SMILES：
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@@H]([C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]1c23)c1cc(ccc1O)[C@H]1[C@H]2C([C@H](c3ccccc23)c2ccccc12)c1ccc(O)cc1
Systematic name (3)：
- (6R)-1β,7β-ビス(4-ヒドロキシフェニル)-6α-[2-ヒドロキシ-5-[(5R)-5β,11β-(4-ヒドロキシベンジリデン)-10,11-ジヒドロ-5H-ジベンゾ[a,d]シクロヘプテン-10β-イル]フェニル]-1,6,7,11bβ-テトラヒドロベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-4,8,10-トリオール
- (1S,8S,9R,16S)-9-{2-ヒドロキシ-5-[(1R,8R,9R)-16-(4-ヒドロキシフェニル)テトラシクロ[7.6.1.02,7.010,15]ヘキサデカ-2,4,6,10,12,14-ヘキサエン-8-イル]フェニル}-8,16-ビス(4-ヒドロキシフェニル)-15-オキサテトラシクロ[8.6.1.02,7.014,17]ヘプタデカ-2,4,6,10(17),11,13-ヘキサエン-4,6,12-トリオール
- (1S,8S,9R,16S)-9-{2-hydroxy-5-[(1R,8R,9R)-16-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-yl]phenyl}-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,12-triol
- (6R)-1β,7β-Bis(4-hydroxyphenyl)-6α-[2-hydroxy-5-[(5R)-5β,11β-(4-hydroxybenzylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-10β-yl]phenyl]-1,6,7,11bβ-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
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