(Q105262422)

English

(1R,5S,6S,7S)-6-(3,5-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]octa-3-ene-2,8-dione

chemical compound

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instance of

type of chemical entity

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subclass of

6-(3,5-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

454.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₈H₂₂O₆

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canonical SMILES

O=C1C=C(C=CC2=CC=C(O)C=C2)C3C(=O)C1C(C4=CC=C(O)C=C4)C3C=5C=C(O)C=C(O)C5

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isomeric SMILES

O=C1C=C(/C=C/c2ccc(O)cc2)[C@H]2C(=O)[C@@H]1[C@@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc(O)c1

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found in taxon

Gnetum leyboldii

1 reference

stated in

Gnetins: Resveratrol Oligomers From Gnetum Species

Vitis ficifolia

1 reference

stated in

Resveratrol derivatives from the roots of Vitis thunbergii

Vitis heyneana

1 reference

stated in

Resveratrol derivatives from the roots of Vitis thunbergii

Identifiers

InChI

InChI=1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26+,27-/m0/s1

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InChIKey

SVSWTEAHRCVGAR-JIGRFQDASA-N

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CAS Registry Number

82084-87-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVSWTEAHRCVGAR-JIGRFQDASA-N

1 reference

(Q105262422)

(1R,5S,6S,7S)-6-(3,5-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]octa-3-ene-2,8-dione

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