(Q105243346)

English

[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

1 reference

based on heuristic

inferred from SMILES

mass

632.241018112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₆O₈

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canonical SMILES

O=C(C1=CC=C(O)C(=C1O)CC=C(C)C)C2C(C=C(C)CC2C3=CC=C(O)C=C3)C4=C(O)C=C(C=C4O)C=5OC=6C=C(O)C=CC6C5

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isomeric SMILES

CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O

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found in taxon

Morus alba

1 reference

stated in

Absolute Configuration of Natural Diels-Alder Type Adducts from the Morus Root Bark

Identifiers

InChI

InChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3/t29-,30+,36-/m1/s1

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InChIKey

RQIKMRKKKIMUNB-SAMPUJIESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQIKMRKKKIMUNB-SAMPUJIESA-N

1 reference

(Q105243346)

[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

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Identifiers

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