(Q105216415)

English

(1S,2R,3R,9R,10R,17S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0⁴,¹⁸.0⁷,¹⁹.0¹¹,¹⁶]nonadeca-4(18),5,7(19),11,13,15-hexaene-5,13,15-triol

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-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 SMILES

906.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,3R,9S,10S,17S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-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

chemical formula

C₅₆H₄₂O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC(=C3C2C=4C=C(O)C=C(O)C4)C5C(C6=CC=C(O)C=C6)C7=C(O)C=C8OC(C9=CC=C(O)C=C9)C%10C=%11C=C(O)C=C(O)C%11C(C%12=CC=C(O)C=C%12)C5C7=C8%10

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isomeric SMILES

Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1

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Shorea hemsleyana

1 reference

Six New Heterocyclic Stilbene Oligomers from Stem Bark of Shorea hemsleyana

Vatica pauciflora

1 reference

New resveratrol oligomers in the stem bark of Vatica pauciflora

Identifiers

InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-45(26-3-11-31(58)12-4-26)49(53(44)54(51)52)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50+,53+,55-,56-/m0/s1

0 references

PXUKGIXMZKRNMI-NUQILMSPSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

PXUKGIXMZKRNMI-NUQILMSPSA-N

UniChem compound ID

1 reference

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