Ergolide

cas: 54999-07-4 — see every product listed under this CAS number, including other names

Ergolide (CAS 54999-07-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 10mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC38637-1
cas54999-07-4
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 896.59 Pln
GLPBio 10mg 2867.08 Pln
GLPBio 5mg 1860.77 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Ergolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an antineoplastic agent, an anti-inflammatory agent, a NF-kappaB inhibitor and a plant metabolite. It is an organic heterotricyclic compound, a gamma-lactone, a sesquiterpene lactone, a cyclic ketone and an acetate ester.

Source: ChEBI

Identity
Molecular formulaC17H22O5
Molecular weight306.4 g/mol
IUPAC name[(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
InChIKeyJCDZXDWMCKMXFF-MMLVVLEOSA-N
SMILESC[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2

Computed by PubChem (NCBI)

Synonyms: Ergolide, Dihydrobigelovin, orb1217890, orb1308823, 4a,8-Dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate
Isomers (same molecular formula)
ethyl 2-[2-acetyl-5-(3-methylbut-2-enoxy)phenoxy]acetate C17H22O5
diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate C17H22O5
methyl 4-[(1S,2R,3aS,8bS)-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate C17H22O5
methyl 4-[(1R,2S,3aR,8bR)-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate C17H22O5
2-(4-methyl-7-oxooctoxy)carbonylbenzoic acid C17H22O5
2,3,4,5-tetradeuterio-6-(4-methyl-7-oxooctoxy)carbonylbenzoic acid C17H22O5
[(1S,2S,4R,7E,10R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate C17H22O5
(9-hydroxy-6,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl)methyl acetate C17H22O5
8-(3-ethoxy-2-hydroxy-3-methylbutyl)-7-methoxychromen-2-one C17H22O5
[1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate C17H22O5
[(1aR,2R,3R,3aR,5R,7bS)-3,3',3',3a-tetramethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate C17H22O5
4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid C17H22O5

Also listed as

Ergolide/ 99.56% (existing batch purity) TargetMol CAS 54999-07-4
(3aR,4S,4aR,7aS,8R,9aS)-4a,8-Dimethyl-3-methylene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate, 99%, 99% Chemat CAS 54999-07-4
Ergolide, 99.48% MedChemExpress CAS 54999-07-4