(Q27137678)

[(3aS,5R,5aS,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

Bigelovin (English)

19 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

[(3aR,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

1 reference

1 reference

[(3aR,5R,5aS,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

1 reference

1 reference

C₁₇H₂₀O₅

1 reference

Bigelovin (English)

19 October 2016

CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2

1 reference

Bigelovin (English)

19 October 2016

C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2

1 reference

Pseudoguaianolides isolated from Inula britannica var. chinenis as inhibitory constituents against inducible nitric oxide synthase

Bigelovin (English)

19 October 2016

3 references

Cytotoxic sesquiterpene lactones from Inula britannica.

Cytotoxic sesquiterpene lactones from Inula britannica.

Helenium donianum

1 reference

Helenanolides, guaianolide glucosides and other constituents of two Helenium donianum varieties

Dittrichia graveolens

1 reference

New eudesmane derivatives and other sesquiterpenes from the epigeal parts of Dittrichia graveolens

Inula hupehensis

2 references

Cytotoxicity and NMR spectral assignments of ergolide and bigelovin

Pseudoguaianolides and guaianolides from Inula hupehensis as potential anti-inflammatory agents

Inula

1 reference

Apoptosis inducement of bigelovin from Inula helianthus-aquatica on human Leukemia U937 cells

Asteraceae

1 reference

Anti-emetic principles of Inula linariaefolia flowers and Forsythia suspensa fruits

Identifiers

InChI

InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

1 reference

Bigelovin (English)

19 October 2016

2 references

Bigelovin (English)

19 October 2016

ChEBI release 2020-09-01

2 references

bigelovin (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=3668-14-2

10 April 2021

1 reference

(3aR,4S,4aR,7aR,8R,9aS)-4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate (English)

19 October 2016

2 references

matched by identifier from

Bigelovin (English)

retrieved

19 October 2016

InChIKey

Reaxys registry number

1295049

1 reference

bigelovin (English)

19 October 2016

mapping relation type

2 references

matched by identifier from

bigelovin (English)

retrieved

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

BIGELOVIN (English)

19 October 2016

1 reference

2 references

matched by identifier from

InChIKey

DSSTOX compound identifier

0 references

0 references

0 references

1 reference