(Q105151371)

English

[(1S,3aS,5aR,7R,8S,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3S,3aR,4aR,5S,6R,9aR)-5-hydroxy-3,5,8-trimethyl-2-oxo-3H,3aH,4H,4aH,6H,7H,7aH,9aH-azuleno[6,5-b]furan-6-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3aR,5aR,7R,8S,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC2C(=CC3OC(=O)C(C)C3CC2C1(O)C)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Helenium autumnale

2 references

stated in

Carolenin and carolenalin, two new guaianolides in Helenium autumnale from North Carolina

stated in

Isolation and Structures of Sesquiterpene Lactones from North Carolina Helenium autumnale L. (2)

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-10(2)18(21)25-17-9-13-11(3)7-16-14(12(4)19(22)24-16)8-15(13)20(17,5)23/h6-7,12-17,23H,8-9H2,1-5H3/b10-6-/t12-,13-,14+,15+,16+,17+,20-/m0/s1

0 references

InChIKey

LGIHDROQWYPYRA-IAGJWZMBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105151371)

[(1S,3aS,5aR,7R,8S,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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