Metabolites-BOC Sciences

17-O-Demethylgeldanamycin

17-O-Demethylgeldanamycin - CAS 52762-28-4

Catalog number: BBF-00817

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Catalog Number BBF-00817
CAS 52762-28-4
Description 17-O-Demethylgeldanamycin is an ansa antibiotic produced by Streptomyces hygroscopicus B-434. Anti-tumor activity.
Molecular Formula C28H38N2O9
Molecular Weight 546.61
Antibiotic Activity Spectrum neoplastics (Tumor)
Synonyms 17-Desmethylgeldanamycin; Des-O-methylgeldanamycin; 17-Des-O-methylgeldanamycin
IUPAC Name [(4E,6Z,10E)-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl] carbamate
Canonical SMILES CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=O)C(=C2O)C1)C)OC)OC(=O)N)C)C)O)OC
InChI InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+
InChI Key AFFSZNHAULCEKY-AFGHJBDBSA-N
Melting Point 263°C
Appearance Purple Crystal
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