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Substance Name: N-Acetylelsamicin A
RN: 106544-47-2
InChIKey: GWXIRWREUUJNER-OTYLROTQSA-N

Note

  • N-acetyl analog of elsamicin A.

Molecular Formula

  • C35-H37-N-O14

Molecular Weight

  • 695.67
 
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Names and Synonyms

Name of Substance

  • N-Acetylelsamicin A

Systematic Name

  • Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-(acetylamino)-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-

Registry Numbers

CAS Registry Number

  • 106544-47-2

System Generated Number

  • 0106544472

Structure Descriptors

InChI

1S/C35H37NO14/c1-12-10-11-18-21-19(12)31(41)49-27-20-16(26(39)23(22(21)27)32(42)47-18)8-7-9-17(20)48-34-30(35(5,43)29(40)14(3)46-34)50-33-24(36-15(4)37)28(44-6)25(38)13(2)45-33/h7-11,13-14,24-25,28-30,33-34,38-40,43H,1-6H3,(H,36,37)/t13-,14-,24-,25+,28-,29+,30+,33-,34+,35+/m1/s1

InChIKey

GWXIRWREUUJNER-OTYLROTQSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O[C@@H]1[C@](O)(C)[C@@H](O)[C@@H](C)O[C@H]1Oc1c2c3oc(=O)c4c(ccc5c4c3c(c(c2ccc1)O)c(=O)o5)C)NC(C)=O)OC)O)C