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Substance Name: O-Demethylpaulomycin B
RN: 113592-08-8
InChIKey: VUSAGQZKPBHCGW-FRKPEAEDSA-N

Note

  • Isolated from Streptomyces paulus.

Molecular Weight

  • 758.7468
 
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Names and Synonyms

Name of Substance

  • O-Demethylpaulomycin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113592-08-8

System Generated Number

  • 0113592088

Structure Descriptors

InChI

1S/C32H42N2O17S/c1-7-16(34-11-52)30(43)51-24-18(10-46-15(6)35)49-27(31(44)9-17(36)22(33)21(26(31)39)28(40)41)23(38)25(24)50-20-8-19(37)32(45,13(4)47-20)14(5)48-29(42)12(2)3/h7,12-14,18-20,23-25,27,37-38,44-45H,8-10,33H2,1-6H3,(H,40,41)/b16-7+

InChIKey

VUSAGQZKPBHCGW-FRKPEAEDSA-N

Smiles

C/C=C(\C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)OC(=O)C(C)C)O)O)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)/N=C=S