Maduramicin

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Systematic / IUPAC Name: 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid

ID: Reference2526

Other Names: (3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-11-O-demethyl-22-[(2,6-dideoxy-3,4-di-O-methyl-β-L-arabino-hexopyranosyl)oxy]-6-methoxy-lonomycin A;
Lonomycin A, 23,27-didemethoxy-2,6,22-tridemethyl-11-O-demethyl-22-((2,6-dideoxy-3,4-di-O-methyl-β-L-arabino-hexopyranosyl)oxy)-6-methoxy, (3R,4S,5S,6R,7S,22S)-

Formula: C47H80O17

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines

Spectral Data

Maduramicin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive HF Orbitrap; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2016 11:24:36 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+/m0/s1
InChI Key RWVUEZAROXKXRT-VQLSFVLHSA-N
Canonical SMILES CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)OC7CC(C(C(O7)C)OC)OC)(C)O)C
CAS 79356084
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Other Names (3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-11-O-demethyl-22-[(2,6-dideoxy-3,4-di-O-methyl-β-L-arabino-hexopyranosyl)oxy]-6-methoxy-lonomycin A;
Lonomycin A, 23,27-didemethoxy-2,6,22-tridemethyl-11-O-demethyl-22-((2,6-dideoxy-3,4-di-O-methyl-β-L-arabino-hexopyranosyl)oxy)-6-methoxy, (3R,4S,5S,6R,7S,22S)-

In Other Databases

PubChem 196129
ChemIDPlus 079356084
ChEMBL CHEMBL1909065
ChemSpider 169976
Wikipedia Maduramicin