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Substance Name: A 40926 Aglycone
RN: 114894-40-5
InChIKey: NJSQQTVUEOPLNL-IQLTVJBGSA-N

Note

  • More activity then parent against coaglulase-negative Staphylococci.

Molecular Formula

  • C59-H47-Cl2-N7-O18

Molecular Weight

  • 1212.9573
 
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Names and Synonyms

Name of Substance

  • A 40926 Aglycone

Synonym

  • A40926 Aglycone

Systematic Name

  • Ristomycin A aglycone, 5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-

Registry Numbers

CAS Registry Number

  • 114894-40-5

System Generated Number

  • 0114894405

Structure Descriptors

InChI

1S/C59H47Cl2N7O18/c1-62-45-24-5-10-36(71)40(15-24)85-29-20-32(44(61)38(73)21-29)48-57(80)65-47-26-16-41(84-28-7-2-22(3-8-28)12-34(53(76)66-48)63-54(45)77)52(75)42(17-26)86-39-11-6-25(14-33(39)60)51(74)50-58(81)67-49(59(82)83)31-18-27(69)19-37(72)43(31)30-13-23(4-9-35(30)70)46(55(78)68-50)64-56(47)79/h2-11,13-21,34,45-51,62,69-75H,12H2,1H3,(H,63,77)(H,64,79)(H,65,80)(H,66,76)(H,67,81)(H,68,78)(H,82,83)/t34-,45-,46-,47-,48+,49+,50+,51-/m1/s1

InChIKey

NJSQQTVUEOPLNL-IQLTVJBGSA-N

Smiles

CN[C@@H]1c2ccc(c(c2)Oc3cc(c(c(c3)O)Cl)[C@H]4C(=O)N[C@@H]5c6cc(c(c(c6)Oc7ccc(cc7Cl)[C@H]([C@H]8C(=O)N[C@@H](c9cc(cc(c9-c2cc(ccc2O)[C@H](C(=O)N8)NC5=O)O)O)C(=O)O)O)O)Oc2ccc(cc2)C[C@H](C(=O)N4)NC1=O)O