(Q105218777)

English

(1S,2S,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

680.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,3R,9R,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

1 reference

based on heuristic

inferred from InChIKey

(1R,2S,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

1 reference

1 reference

1 reference

(1S,2R,3R,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₃₂O₉

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=C4C5=C3C2C=6C=C(O)C=C(O)C6C(C7=CC=C(O)C=C7)C5C(C=8C=C(O)C=C(O)C8)C4C9=CC=C(O)C=C9

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isomeric SMILES

Oc1ccc([C@@H]2c3c(O)cc4c5c3[C@@H]([C@@H]2c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1

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found in taxon

Shorea hemsleyana

1 reference

stated in

Stilbenoids isolated from stem bark of Shorea hemsleyana

Sophora davidii

1 reference

stated in

Stilbene oligomers in roots of Sophora davidii

Identifiers

InChI

InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34+,35+,37+,40+,42-/m0/s1

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InChIKey

QDEHKEFWCRAFDN-YJHQMOPESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QDEHKEFWCRAFDN-YJHQMOPESA-N

1 reference

(Q105218777)

(1S,2S,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

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