(Q105000882)

English

[(1R,2E,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[(3-Formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

472.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₉

0 references

canonical SMILES

O=CC=1C=CC=C(OCC=2C(=O)OC3=CC4(OC(OC)(CC4)C(O)(C)CC(OC(=O)C)C32)C)C1

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isomeric SMILES

CO[C@]12CC[C@](C)(/C=C3/OC(=O)C(COc4cccc(C=O)c4)=C3[C@H](OC(C)=O)C[C@]1(C)O)O2

0 references

found in taxon

Chrysolaena verbascifolia

1 reference

stated in

Piptocarphols and other constituents of Chrysolaena verbascifolia and Lessingianthus rubricaulis

Identifiers

InChI

InChI=1S/C25H28O9/c1-15(27)32-20-12-24(3,29)25(30-4)9-8-23(2,34-25)11-19-21(20)18(22(28)33-19)14-31-17-7-5-6-16(10-17)13-26/h5-7,10-11,13,20,29H,8-9,12,14H2,1-4H3/b19-11+/t20-,23-,24+,25+/m1/s1

0 references

InChIKey

FSVDAXLTRBKUBC-VXVAUQSISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FSVDAXLTRBKUBC-VXVAUQSISA-N

(Q105000882)

[(1R,2E,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

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Identifiers

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