(Q105146358)

English

(2R,3R,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

chemical compound

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type of chemical entity

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1 reference

(2S,10R,18S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

based on heuristic

inferred from SMILES

mass

678.18898254 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,10R,11S,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,10R,11R,18R,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

based on heuristic

inferred from InChI

(2S,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₃₀O₉

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC4=C3C2C=5C=C(O)C=C6OC(C7=CC=C(O)C=C7)C(C=8C=C(O)C=C9OC(C%10=CC=C(O)C=C%10)C4C98)C65

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isomeric SMILES

Oc1ccc([C@@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc5c2[C@@H]4[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O3)cc1

0 references

found in taxon

Curculigo sinensis

1 reference

stated in

A New Oligostilbenoid from Rhizomes ofCurculigo Sinensis

Identifiers

InChI

InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39-,40+,41+,42+/m1/s1

0 references

InChIKey

KUTVNHOAKHJJFL-LNDPSXOGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KUTVNHOAKHJJFL-LNDPSXOGSA-N

(Q105146358)

(2R,3R,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

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