(Q105026539)

English

(3S,4S)-3-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

568.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4R)-3-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,4R)-3-[[3-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₁₀

0 references

canonical SMILES

O=C1OCC(CC2=CC=C(OC)C(OC)=C2)C1CC3=CC(OC)=C(O)C(=C3)C(CO)C(O)C4=CC=C(O)C(OC)=C4

0 references

isomeric SMILES

COc1cc([C@@H](O)[C@@H](CO)c2cc(C[C@@H]3C(=O)OC[C@H]3Cc3ccc(OC)c(OC)c3)cc(OC)c2O)ccc1O

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found in taxon

Arctium lappa

1 reference

stated in

New sesquilignans from Arctium lappa L. The structure of lappaol C, D and E.

Identifiers

InChI

InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3/t20-,21+,23+,29-/m1/s1

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InChIKey

HDTODGZKAUQBPM-PBMCCXPMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HDTODGZKAUQBPM-PBMCCXPMSA-N

(Q105026539)

(3S,4S)-3-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one

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