Metabolites-BOC Sciences

4'-O-Demethyldianemycin

4'-O-Demethyldianemycin - CAS 80118-77-0

Catalog number: BBF-00815

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Catalog Number BBF-00815
CAS 80118-77-0
Description 4'-O-Demethyldianemycin is a polyether antibiotic produced by Streptomyces hygroscopicus TM-531. Activity against gram-positive bacteria.
Molecular Formula C46H75NaO14
Molecular Weight 875.06
Antibiotic Activity Spectrum Gram-positive bacteria
IUPAC Name sodium;(E)-6-[[(2S,7S,8S)-7-hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-8-yl]methyl]-2,4-dimethyl-5-oxonon-6-enoate
Canonical SMILES CCC=C(CC1(COC2(CCC(O2)(C)C3CC(C(C4(O3)C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C)C)OC6CCC(C(O6)C)O)CC1O)C)C(=O)C(C)CC(C)C(=O)[O-].[Na+]
InChI InChI=1S/C46H76O14.Na/c1-11-12-32(39(50)25(2)17-27(4)41(51)52)21-42(9)24-54-44(22-36(42)49)16-15-43(10,60-44)37-20-34(56-38-14-13-33(48)31(8)55-38)30(7)46(58-37)29(6)19-35(57-46)40-26(3)18-28(5)45(53,23-47)59-40;/h12,25-31,33-38,40,47-49,53H,11,13-24H2,1-10H3,(H,51,52);/q;+1/p-1/b32-12+;/t25?,26-,27?,28+,29+,30+,31+,33-,34-,35+,36-,37+,38+,40?,42-,43-,44?,45-,46?;/m0./s1
InChI Key POEFPAGCCFSWBQ-XBIOXLLRSA-M
Melting Point 252.1-253.2°C
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