beta-Rubromycin

beta-Rubromycin is a bacterial metabolite originally isolated from Streptomyces that has diverse biological activities. It inhibits the growth of HMO2, KATO-III, and MCF-7 cells with GI50 values of 0.5, 0.84, and ortho-quinone group, but it was revised to a para-quinone group in 2000 using organic and biosynthetic methods, as well as spectroscopic analysis.Formal Name: (2S)-4,4',9,9'-tetrahydro-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxo-spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-7-carboxylic acid, methyl ester. CAS Number: 27267-70-5. Molecular Formula: C27H20O12. Formula Weight: 536.4. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 1 mg/ml. SMILES: O=C(OC)C(O1)=CC(C=C(CC[C@@]2(OC(C(C(C(O)=C(OC)C=C3OC)=C3C4=O)=O)=C4C2)O5)C5=C6O)=C6C1=O. InChi Code: InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1. InChi Key: FXCBZGHGMRSWJD-MHZLTWQESA-N. Origin: Bacterium/Streptomyces sp..