(Q27133807)

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

[(4S)-4-[(3aR,4R,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

1-O-Acetylbritannilactone

inferred from InChI

2 references

inferred from InChIKey

(4S)-4-[(3aS,4R,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl acetate

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₁₇H₂₄O₅

1 reference

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

7 October 2016

canonical SMILES

CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C

1 reference

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

7 October 2016

isomeric SMILES

CC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)O)[C@H](C)CCCOC(=O)C

1 reference

Sesquiterpene lactones from Inula britannica

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

7 October 2016

1 reference

Microtropis japonica

1 reference

stated in

The inhibitory principle of lipopolysaccharide-induced nitric oxide production from Inula britannica var. chinensis

Identifiers

InChI

InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13-,15-,16-/m1/s1

1 reference

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

QKUFZFLZBUSEHN-BYRYDROYSA-N

7 October 2016

InChIKey

2 references

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4R)-4-[(3aS,4S,7aR)-4-Hydroxy-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

7 October 2016

2 references

(4R)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate (English)

matched by identifier from

7 October 2016

InChIKey

QKUFZFLZBUSEHN-BYRYDROYSA-N

Reaxys registry number

11296086

1 reference

1-O-acetyl-4R,6S-britannilactone (English)

7 October 2016

ChEBI ID

65365

mapping relation type

2 references

1-O-acetyl-4R,6S-britannilactone (English)