Marrubiin

Marrubiin is a labdane diterpenoid lactone originally isolated from M. vulgare that has diverse biological activities. It inhibits potassium chloride-induced contractions of rat aortic rings (IC50 = 24 µM). Marrubiin (100 mg/kg) inhibits ovalbumin-induced allergic ear edema in mice. It inhibits acetic acid-induced writhing and capsaicin-induced paw licking in mice with ID50 values of 2.2 and 28.8 µmol/kg, respectively.Formal Name: (2aS,5aS,6R,7R,8aR,8bR)-6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-2H-naphtho[1,8-bc]furan-2-one. CAS Number: 465-92-9. Synonyms: NSC 36693, (+)-Marrubiin. Molecular Formula: C20H28O4. Formula Weight: 332.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: soluble, Ethanol: soluble. lambdamax: 213 nm. SMILES: C[C@@]12[C@@]3([H])[C@](C[C@H]([C@]2(O)CCC4=COC=C4)C)([H])OC([C@]3(CCC1)C)=O. InChi Code: InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1. InChi Key: HQLLRHCTVDVUJB-OBHOOXMTSA-N. Origin: Plant/Marrubium vulgare.