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Substance Name: O-Demethylpaulomycin A
RN: 113603-74-0
InChIKey: KDRLCZSKCPVIST-CAOOACKPSA-N

Note

  • Isolated from Streptomyces paulus.

Molecular Weight

  • 772.7736
 
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Names and Synonyms

Name of Substance

  • O-Demethylpaulomycin A

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 5-(6-O-acetyl-3-O-(2,6-dideoxy-4-C-((S(S))-1-(2-methyl-1-oxobutoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-4-O-((Z)-2-isothiocyanato-1-oxo-2-butenyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-, (S)-

Registry Numbers

CAS Registry Number

  • 113603-74-0

System Generated Number

  • 0113603740

Structure Descriptors

InChI

1S/C33H44N2O17S/c1-7-13(3)30(43)49-15(5)33(46)14(4)48-21(9-20(33)38)51-26-24(39)28(32(45)10-18(37)23(34)22(27(32)40)29(41)42)50-19(11-47-16(6)36)25(26)52-31(44)17(8-2)35-12-53/h8,13-15,19-21,24-26,28,38-39,45-46H,7,9-11,34H2,1-6H3,(H,41,42)/b17-8+

InChIKey

KDRLCZSKCPVIST-CAOOACKPSA-N

Smiles

CCC(C)C(=O)OC(C)C1(C(OC(CC1O)OC2C(C(OC(C2OC(=O)/C(=C\C)/N=C=S)COC(=O)C)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)C)O