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Substance Name: DMDA 40926
RN: 116528-12-2
InChIKey: XBNNDYDTNYAVOU-RPOKKIRESA-N

Molecular Formula

  • C65-H56-Cl2-N8-O23

Molecular Weight

  • 1388.0964
 
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Names and Synonyms

Results Name

  • DMDA 40926

Synonym

  • DMDA 40926

Systematic Name

  • Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-beta-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-

Registry Numbers

CAS Registry Number

  • 116528-12-2

System Generated Number

  • 0116528122

Structure Descriptors

InChI

1S/C65H56Cl2N8O23/c1-69-46-24-5-10-36(78)40(15-24)95-29-20-32(44(67)38(80)21-29)49-61(88)72-48-26-16-41(94-28-7-2-22(3-8-28)12-34(57(84)73-49)70-58(46)85)55(97-65-45(68)53(82)54(83)56(98-65)64(92)93)42(17-26)96-39-11-6-25(14-33(39)66)52(81)51-62(89)74-50(63(90)91)31-18-27(76)19-37(79)43(31)30-13-23(4-9-35(30)77)47(59(86)75-51)71-60(48)87/h2-11,13-21,34,45-54,56,65,69,76-83H,12,68H2,1H3,(H,70,85)(H,71,87)(H,72,88)(H,73,84)(H,74,89)(H,75,86)(H,90,91)(H,92,93)/t34-,45-,46-,47-,48-,49+,50+,51+,52-,53-,54+,56+,65-/m1/s1

InChIKey

XBNNDYDTNYAVOU-RPOKKIRESA-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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)N)Oc2ccc(cc2)C[C@H](C(=O)N4)NC1=O)O