(Q105306926)

English

(2R,9S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-hydroxy-12,12-dimethyl-13-(3-methylbut-2-en-1-yl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-6-one

1 reference

based on heuristic

inferred from SMILES

mass

650.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,9R)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,9S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₈O₉

0 references

canonical SMILES

O=C1C2=C(O)C=C3OC(C)(C)C(CC=C(C)C)CC3=C2OC(C=4C=C5C(OC(C6=CC=C(O)C=C6)C5C=7C=C(O)C=C(O)C7)=CC4O)C1

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isomeric SMILES

CC(C)=CC[C@H]1Cc2c(cc(O)c3c2O[C@@H](c2cc4c(cc2O)O[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)CC3=O)OC1(C)C

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found in taxon

Sophora leachiana

1 reference

stated in

Two complex flavanones from the roots ofSophora leachiana

Identifiers

InChI

InChI=1S/C39H38O9/c1-19(2)5-8-22-13-28-34(48-39(22,3)4)18-31(45)36-30(44)17-32(47-38(28)36)26-15-27-33(16-29(26)43)46-37(20-6-9-23(40)10-7-20)35(27)21-11-24(41)14-25(42)12-21/h5-7,9-12,14-16,18,22,32,35,37,40-43,45H,8,13,17H2,1-4H3/t22-,32+,35+,37-/m0/s1

0 references

InChIKey

WJMIBUBZXMRJRI-NDVIJSLYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJMIBUBZXMRJRI-NDVIJSLYSA-N

(Q105306926)

(2R,9S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

Statements

Identifiers

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