(Q105243498)

English

(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

552.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4R,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₁₂

0 references

canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(CO)C2COC4OC(CO)C(O)C4O

0 references

isomeric SMILES

COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc(OC)c1O

0 references

found in taxon

Quercus rubra

1 reference

stated in

Phenolics of Quercus rubra wood

Identifiers

InChI

InChI=1S/C27H36O12/c1-34-16-7-13(8-17(35-2)22(16)30)20-15(11-38-27-25(33)23(31)19(10-29)39-27)14(9-28)5-12-6-18(36-3)24(32)26(37-4)21(12)20/h6-8,14-15,19-20,23,25,27-33H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,27+/m1/s1

0 references

InChIKey

RQPGDBIYSLGKPF-VSQWBENWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQPGDBIYSLGKPF-VSQWBENWSA-N

(Q105243498)

(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

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