(Q105208252)

English

2-[4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

group of stereoisomers with the chemical formula C₃₁H₃₆O₁₁

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instance of

group of stereoisomers

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subclass of

2-[4-[(3R,6R)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

584.2257619719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₆O₁₁

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=CC=C(C=C2OC)C3OCC4C(OCC34)C5=CC(OC)=C(O)C(OC)=C5)CO

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isomeric SMILES

COc1cc(C(O)C(CO)Oc2ccc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O)c(OC)c3)cc2OC)ccc1O

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Identifiers

InChI

InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(34)27(13-32)42-22-8-6-17(10-24(22)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3/t19-,20-,27?,28?,30+,31+/m1/s1

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InChIKey

PFZFCRCFYYFTPE-WBHAYQECSA-N

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PubChem CID

101073642

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PFZFCRCFYYFTPE-WBHAYQECSA-N

1 reference

(Q105208252)

2-[4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

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