(Q105267237)

English

(2S,3S,5S)-2-[[(6R,7R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₈H₃₈O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

582.231241276 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₁₃

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=C(OC)C=C3CC(CO)C2CO

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isomeric SMILES

COc1cc([C@H]2c3c(cc(OC)c(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O

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found in taxon

Ruellia patula

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stated in

Three new flavonoid glycosides, byzantionoside B 6'-O-sulfate and xyloglucoside of (Z)-hex-3-en-1-ol from Ruellia patula

Ruellia tuberosa

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stated in

Chemical constituents from the leaves of Ruellia tuberosa

Identifiers

InChI

InChI=1S/C28H38O13/c1-36-16-6-13(7-17(37-2)22(16)32)20-15(10-30)14(9-29)5-12-8-18(38-3)26(27(39-4)21(12)20)41-28-25(35)24(34)23(33)19(11-31)40-28/h6-8,14-15,19-20,23-25,28-35H,5,9-11H2,1-4H3/t14-,15-,19?,20+,23+,24?,25-,28-/m0/s1

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InChIKey

TYCVVKGFKLGEKY-UJEZDFSPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105267237)

(2S,3S,5S)-2-[[(6R,7R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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