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Substance Name: 20-Deoxo-20-dipropylaminodesmycosin
RN: 115498-32-3
InChIKey: NDSOHKSDNXOJKK-UBVYWUEUSA-N

Molecular Formula

  • C45-H80-N2-O13

Molecular Weight

  • 857.128
 
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Names and Synonyms

Results Name

  • 20-Deoxo-20-dipropylaminodesmycosin

Synonym

  • 20-Deoxo-20-dipropylaminodesmycosin

Systematic Name

  • 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(dipropylamino)-tylosin

Registry Numbers

CAS Registry Number

  • 115498-32-3

System Generated Number

  • 0115498323

Structure Descriptors

InChI

1S/C45H80N2O13/c1-13-19-47(20-14-2)21-18-31-23-27(5)33(48)17-16-26(4)22-32(25-56-45-43(55-12)42(54-11)39(52)30(8)58-45)35(15-3)59-36(50)24-34(49)28(6)41(31)60-44-40(53)37(46(9)10)38(51)29(7)57-44/h16-17,22,27-32,34-35,37-45,49,51-53H,13-15,18-21,23-25H2,1-12H3/b17-16+,26-22+/t27-,28+,29-,30-,31+,32-,34-,35-,37+,38+,39-,40-,41-,42-,43-,44+,45?/m1/s1

InChIKey

NDSOHKSDNXOJKK-UBVYWUEUSA-N

Smiles

CCCN(CCC)CC[C@H]1C[C@H](C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O)N(C)C)O)C)O)CC)COC3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)/C)C