(Q105238882)

English

Davidiol C

chemical compound

In more languages

Statements

type of chemical entity

0 references

23-(3,5-Dihydroxyphenyl)-3,11,19,24-tetrakis(4-hydroxyphenyl)-4,12,20,25-tetraoxaoctacyclo[16.9.1.12,5.110,13.021,28.022,26.09,30.017,29]triaconta-1(27),5,7,9(30),13,15,17(29),21(28),22(26)-nonaene-7,15-diol

1 reference

based on heuristic

inferred from SMILES

904.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,10R,11R,18S,19R,23S,24S)-23-(3,5-dihydroxyphenyl)-3,11,19,24-tetrakis(4-hydroxyphenyl)-4,12,20,25-tetraoxaoctacyclo[16.9.1.12,5.110,13.021,28.022,26.09,30.017,29]triaconta-1(27),5,7,9(30),13,15,17(29),21(28),22(26)-nonaene-7,15-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,10S,11S,18R,19R,23S,24S)-23-(3,5-dihydroxyphenyl)-3,11,19,24-tetrakis(4-hydroxyphenyl)-4,12,20,25-tetraoxaoctacyclo[16.9.1.12,5.110,13.021,28.022,26.09,30.017,29]triaconta-1(27),5,7,9(30),13,15,17(29),21(28),22(26)-nonaene-7,15-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₅₆H₄₀O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC=3C=C4C5=C(OC(C6=CC=C(O)C=C6)C5C=7C=C(O)C=C8OC(C9=CC=C(O)C=C9)C(C=%10C=C(O)C=C%11OC(C%12=CC=C(O)C=C%12)C4C%11%10)C87)C3C2C=%13C=C(O)C=C(O)C%13

0 references

isomeric SMILES

Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc3c2[C@@H](c2cc5c(c6c2[C@@H]4[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O3)cc1

0 references

Sophora davidii

2 references

Davidiol D, first naturally occurring resveratrol pentamer isolated from Sophora davidii

Stilbene oligomers in roots of Sophora davidii

Identifiers

InChI=1S/C56H40O12/c57-30-9-1-25(2-10-30)52-44(29-17-34(61)19-35(62)18-29)51-43(67-52)24-40-48-45-38(20-36(63)22-41(45)66-54(48)27-5-13-32(59)14-6-27)47-46-39(49-50(40)56(51)68-55(49)28-7-15-33(60)16-8-28)21-37(64)23-42(46)65-53(47)26-3-11-31(58)12-4-26/h1-24,44,47-49,52-55,57-64H/t44-,47-,48-,49-,52+,53-,54+,55+/m1/s1

0 references

RKUIZKULTFDMTQ-ICVRABEESA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

RKUIZKULTFDMTQ-ICVRABEESA-N

UniChem compound ID

1 reference

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