(Q105127364)

English

[(1S,2R,6S,7S,8R,10R,12R,14S)-8-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-2-(acetyloxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8-Hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) 2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,6S,7S,8R,10R,12R,14S)-8-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2E)-2-[(acetyloxy)methyl]but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)COC(=O)C)C(O)C(=C)C3CC4OC4(C)C23

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1C[C@H]3O[C@@]3(C)[C@@H]12

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found in taxon

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Identifiers

InChI

InChI=1S/C22H26O8/c1-6-12(8-27-11(4)23)21(26)29-19-15-10(3)20(25)28-18(15)16-13(9(2)17(19)24)7-14-22(16,5)30-14/h6,13-19,24H,2-3,7-8H2,1,4-5H3/b12-6+/t13-,14+,15-,16-,17+,18+,19-,22+/m0/s1

0 references

InChIKey

JGHRVXZPUCLANB-PHZAAGGESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105127364)

[(1S,2R,6S,7S,8R,10R,12R,14S)-8-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-2-(acetyloxymethyl)but-2-enoate

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