(Q105299779)

English

[(E)-2-[[(3aR,4R,6E,9S,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(9-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl)oxycarbonyl]but-2-enyl 2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

460.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-2-[[(3aR,4R,6E,9R,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₈

0 references

canonical SMILES

O=C(OCC(=CC)C(=O)OC1CC(=CCC(O)C(=CC2OC(=O)C(=C)C21)C)C)C(=CC)CO

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isomeric SMILES

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

0 references

found in taxon

Liatris cylindracea

1 reference

stated in

Neue germacranolide aus Liatris cylindracea

Brickellia secundiflora

1 reference

stated in

Terpenoids from Ageratina saltillensis

Identifiers

InChI

InChI=1S/C25H32O8/c1-6-17(12-26)24(29)31-13-18(7-2)25(30)33-20-10-14(3)8-9-19(27)15(4)11-21-22(20)16(5)23(28)32-21/h6-8,11,19-22,26-27H,5,9-10,12-13H2,1-4H3/b14-8+,15-11-,17-6+,18-7+/t19-,20+,21-,22+/m0/s1

0 references

InChIKey

VZIHXHDXSDCOCX-HIYXSJGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZIHXHDXSDCOCX-HIYXSJGXSA-N

(Q105299779)

[(E)-2-[[(3aR,4R,6E,9S,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate

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