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Substance Name: Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((9H-fluoren-9-ylmethoxy)carbonyl)-
RN: 562105-35-5
InChIKey: FUTUPNWILRYOCM-HBRGKXDNSA-N

Molecular Formula

  • C73-H55-Cl2-N7-O20

Molecular Weight

  • 1421.1725
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((9H-fluoren-9-ylmethoxy)carbonyl)-
  • Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((9H-fluoren-9-ylmethoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-35-5

System Generated Number

  • 0562105355

Structure Descriptors

InChI

1S/C73H55Cl2N7O20/c74-46-17-30-9-15-52(46)101-55-24-35-25-56(65(55)89)102-53-16-12-33(22-47(53)75)64(88)63-71(95)80-62(72(96)97)44-27-37(84)28-51(87)57(44)43-21-31(10-13-49(43)85)58(68(92)81-63)78-70(94)61(35)79-69(93)60-34-19-36(83)26-38(20-34)100-54-23-32(11-14-50(54)86)59(67(91)76-48(18-30)66(90)77-60)82-73(98)99-29-45-41-7-3-1-5-39(41)40-6-2-4-8-42(40)45/h1-17,19-28,45,48,58-64,83-89H,18,29H2,(H,76,91)(H,77,90)(H,78,94)(H,79,93)(H,80,95)(H,81,92)(H,82,98)(H,96,97)/t48-,58-,59-,60+,61-,62+,63+,64-/m1/s1

InChIKey

FUTUPNWILRYOCM-HBRGKXDNSA-N

Smiles

c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H]4c5ccc(c(c5)Oc6cc(cc(c6)O)[C@H]7C(=O)N[C@@H]8c9cc(c(c(c9)Oc1ccc(cc1Cl)[C@H]([C@H]1C(=O)N[C@@H](c2cc(cc(c2-c2cc(ccc2O)[C@H](C(=O)N1)NC8=O)O)O)C(=O)O)O)O)Oc1ccc(cc1Cl)C[C@H](C(=O)N7)NC4=O)O