(Q105313154)

English

[(3aS,5R,5aS,6S,8R,8aR,9R,9aS)-6,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3aH-azuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,5R,5aS,6S,8R,8aR,9S,9aS)-6,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,5R,5aS,6S,8R,8aR,9S,9aS)-6,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (Z)-2-methylbut-2-enoate

1 reference

1 reference

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1CC(O)C2C(C)CC3OC(=O)C(=C)C3C(O)C12C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Gaillardia coahuilensis

1 reference

stated in

Pseudoguaianolides and sesquiterpene glucoside from Gaillardia coahuilensis

Gaillardia pulchella

1 reference

stated in

Sesquiterpene lactones from Gaillardia pulchella

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-9(2)18(23)26-14-8-12(21)16-10(3)7-13-15(11(4)19(24)25-13)17(22)20(14,16)5/h6,10,12-17,21-22H,4,7-8H2,1-3,5H3/b9-6-/t10-,12+,13+,14-,15-,16-,17-,20-/m1/s1

0 references

InChIKey

WUMRXBPDXGXSJC-ZRGFYORISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105313154)

[(3aS,5R,5aS,6S,8R,8aR,9R,9aS)-6,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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