(Q105274788)

English

4-hydroxy-7-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trien-1-yl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl acetate

group of stereoisomers with the chemical formula C₂₅H₃₂O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

476.20463260399987 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₉

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canonical SMILES

O=C1OC(C=CC=CC=CC2OC3(C)C(OC(C)(C2O)C3OC(=O)C)C(O)C)=C(C(OC)=C1)C

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isomeric SMILES

COc1cc(=O)oc(/C=C/C=C/C=C/C2OC3(C)C(C(C)O)OC(C)(C2O)C3OC(C)=O)c1C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H32O9/c1-14-17(32-20(28)13-19(14)30-6)11-9-7-8-10-12-18-21(29)24(4)23(31-16(3)27)25(5,33-18)22(34-24)15(2)26/h7-13,15,18,21-23,26,29H,1-6H3/b8-7+,11-9+,12-10+

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InChIKey

UKPVUEBWITXZRF-BGSVYHRFSA-N

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PubChem CID

6438901

1 reference

matched by identifier from

InChIKey

UKPVUEBWITXZRF-BGSVYHRFSA-N

(Q105274788)

4-hydroxy-7-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trien-1-yl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl acetate

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Identifiers

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