(Q104990454)

English

[(1R,2R,4R,6R,8S,9Z,11S)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(8-Hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

0 references

canonical SMILES

O=C(OC1CC2(OC2CC(O)C(=CC3OC(=O)C(=C)C31)C)C)C(=CCO)CO

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12

0 references

found in taxon

Schkuhria pinnata

1 reference

stated in

Sesquiterpene lactones from Schkuhria pinnata

Identifiers

InChI

InChI=1S/C20H26O8/c1-10-6-14-17(11(2)18(24)26-14)15(27-19(25)12(9-22)4-5-21)8-20(3)16(28-20)7-13(10)23/h4,6,13-17,21-23H,2,5,7-9H2,1,3H3/b10-6-,12-4+/t13-,14-,15+,16+,17-,20+/m0/s1

0 references

InChIKey

DWAUXXXGNFAKQL-FQUIWWNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWAUXXXGNFAKQL-FQUIWWNOSA-N

(Q104990454)

[(1R,2R,4R,6R,8S,9Z,11S)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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Identifiers

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