Marrubiin (Standard)

cas: 465-92-9 — see every product listed under this CAS number, including other names

Marrubiin (Standard) (CAS 465-92-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas465-92-9
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Structural formula: {0} (CAS {1})

Marrubiin is a gamma-lactone.

Source: ChEBI

Identity
Molecular formulaC20H28O4
Molecular weight332.4 g/mol
IUPAC name(1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
InChIKeyHQLLRHCTVDVUJB-OBHOOXMTSA-N
SMILESC[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C

Computed by PubChem (NCBI)

Synonyms: Marrubiin, MARRUBIN, Marrubiin CRS, Marrubiin (Standard), MARRUBIIN [MI], Marrubiin (Marrubium bitter)., orb3140742, orb3179976, 2-(3-furyl)ethyl-hydroxy-trimethyl-[?]one, 8.beta.H-Labda-13(16), 15,16-epoxy-6.beta.,9-dihydroxy-, .gamma.-lactone
Isomers (same molecular formula)
4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one C20H28O4
(2E,4E,6E)-7-(5,5,8a-trimethyl-3,6,7,8-tetrahydro-1,2-benzodioxin-3-yl)-3-methylocta-2,4,6-trienoic acid C20H28O4
(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid C20H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H28O4
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H28O4
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propylbenzoic acid C20H28O4
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-8-methylnon-6-enoate C20H28O4
(8S,9S,10R,11R,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H28O4

Also listed as

Marrubiin, 95% Combi-blocks CAS 465-92-9
Marrubiin GLPBio CAS 465-92-9
MARRUBIIN, 99.75%, 99.75% Chemat CAS 465-92-9
Marrubiin, 99.50% MedChemExpress CAS 465-92-9
Marrubiin, ROTICHROM® HPLC, 10 mg, glass Roth CAS 465-92-9

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