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Substance Name: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-64-O-demethyl-19-deoxy-N15-((tricyclo(3.3.1.13,7)dec-2yloxy)carbonyl)-38-((methylamino)carbonyl)-
RN: 562105-38-8
InChIKey: MXQGKDLLQYUDBQ-ALHFXVHOSA-N

Molecular Formula

  • C70-H62-Cl2-N8-O19

Molecular Weight

  • 1390.2028
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-64-O-demethyl-19-deoxy-N15-((tricyclo(3.3.1.13,7)dec-2yloxy)carbonyl)-38-(((methylamino)carbonyl)-
  • Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-64-O-demethyl-19-deoxy-N15-((tricyclo(3.3.1.13,7)dec-2yloxy)carbonyl)-38-((methylamino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-38-8

System Generated Number

  • 0562105388

Structure Descriptors

InChI

1S/C70H62Cl2N8O19/c1-73-63(89)58-41-23-38(82)24-47(85)53(41)40-17-32(3-6-45(40)83)54-65(91)79-59(68(94)78-58)60(86)34-5-9-49(43(72)18-34)98-52-21-36-20-51(61(52)87)97-48-8-2-28(13-42(48)71)14-44-62(88)75-56(66(92)77-57(36)67(93)76-54)35-15-37(81)22-39(16-35)96-50-19-33(4-7-46(50)84)55(64(90)74-44)80-69(95)99-70-25-29-10-30(26-70)12-31(11-29)27-70/h2-9,13,15-24,29-31,44,54-60,81-87H,10-12,14,25-27H2,1H3,(H,73,89)(H,74,90)(H,75,88)(H,76,93)(H,77,92)(H,78,94)(H,79,91)(H,80,95)/t29?,30?,31?,44-,54-,55-,56+,57-,58+,59+,60-,70?/m1/s1

InChIKey

MXQGKDLLQYUDBQ-ALHFXVHOSA-N

Smiles

CNC(=O)[C@@H]1c2cc(cc(c2-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N9)NC(=O)OC23CC5CC(C2)CC(C5)C3)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N1)O)O