(Q105160728)

English

(1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-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

3-(3,5-Dihydroxyphenyl)-2,9,17-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

(1S,3R,9S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-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

mass

680.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,3S,9R,10R,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-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,2S,3S,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-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

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,3R,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-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

1 reference

(1R,5R,6R,6aS,7S,9aR)-1,6,7-Tris(4-hydroxyphenyl)-5-(3,5-dihydroxyphenyl)-8,9-(1,3-dihydroxy-2-butene-1,4-diylidene)-6,6a,7,8,9,9a-hexahydro-5H-2-oxa-1H-cyclohepta[jkl]-as-indacene-4-ol

1 reference

based on heuristic

inferred from InChI

(1S,2S,3S,9R,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-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

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(C8=CC=C(O)C=C8)C4C=9C=C(O)C=C(O)C9

0 references

isomeric SMILES

Oc1ccc([C@@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@@H]5[C@H](c2ccc(O)cc2)O4)cc1

0 references

found in taxon

Paeonia × suffruticosa

1 reference

stated in

Identification and ecdysteroid antagonist activity of three resveratrol trimers (suffruticosols A, B and C) from Paeonia suffruticosa

Identifiers

InChI

InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37+,40+,42+/m1/s1

0 references

InChIKey

MBGBQHRAJPLAPN-LSEUQHLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MBGBQHRAJPLAPN-LSEUQHLASA-N

(Q105160728)

(1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-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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