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Substance Name: N-Deacyl-A40926
RN: 118693-63-3
InChIKey: VZDDQLYACFXSQP-KBQMXOHMSA-N

Molecular Formula

  • C71-H66-Cl2-N8-O28

Molecular Weight

  • 1550.2364
 
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Names and Synonyms

Results Name

  • N-Deacyl-A40926

Synonyms

  • DA 40
  • DA 40926
  • N-Deacyl-A40926

Systematic Name

  • Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-beta-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosyl-N15-methyl-

Registry Numbers

CAS Registry Number

  • 118693-63-3

System Generated Number

  • 0118693633

Structure Descriptors

InChI

1S/C71H66Cl2N8O28/c1-75-48-25-5-10-37(85)40(15-25)104-30-20-33(46(73)38(86)21-30)51-66(97)78-50-27-16-42(103-29-7-2-23(3-8-29)12-35(62(93)79-51)76-63(48)94)60(108-70-47(74)56(89)58(91)61(109-70)69(101)102)43(17-27)105-39-11-6-26(14-34(39)72)54(87)53-67(98)80-52(68(99)100)32-18-28(83)19-41(106-71-59(92)57(90)55(88)44(22-82)107-71)45(32)31-13-24(4-9-36(31)84)49(64(95)81-53)77-65(50)96/h2-11,13-21,35,44,47-59,61,70-71,75,82-92H,12,22,74H2,1H3,(H,76,94)(H,77,96)(H,78,97)(H,79,93)(H,80,98)(H,81,95)(H,99,100)(H,101,102)/t35-,44-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57+,58+,59+,61+,70-,71+/m1/s1

InChIKey

VZDDQLYACFXSQP-KBQMXOHMSA-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[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)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