Ristomycin A aglycone, 22,31,45-trichloro-7-demethyl-64-O-demethyl-19-deoxy-, 11-(hydrogen sulfate)

CAS Registry Number®

90039-80-8

CAS Name

Ristomycin A aglycone, 22,31,45-trichloro-7-demethyl-64-O-demethyl-19-deoxy-, 11-(hydrogen sulfate)

Molecular Formula

C58H44Cl3N7O21S

Molecular Mass

1313.43

Cite this Page

Ristomycin A aglycone, 22,31,45-trichloro-7-demethyl-64-O-demethyl-19-deoxy-, 11-(hydrogen sulfate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90039-80-8 (retrieved 2024-10-07) (CAS RN: 90039-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1

InChIKey

InChIKey=HRGFAEUWEMDRRZ-QLRHZSCISA-N

SMILES

OC=1C=2C=3C([C@@H](C(O)=O)NC(=O)[C@]4(NC(=O)[C@@](C(C2)=CC1Cl)(NC(=O)[C@]5(C6=CC(=C(O)C(=C6)OC=7C(Cl)=CC(=CC7)C[C@@]8(C(=O)N[C@](C(=O)N5)(C=9C=C(OC%10=C(OS(=O)(=O)O)C=CC(=C%10)[C@@H](N)C(=O)N8)C=C(O)C9)[H])[H])OC=%11C(Cl)=CC([C@H]4O)=CC%11)[H])[H])[H])=CC(O)=CC3O

Canonical SMILES

O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)C5=CC=C(OS(=O)(=O)O)C(OC6=CC(O)=CC4=C6)=C5)CC7=CC=C(OC=8C=C3C=C(OC9=CC=C(C=C9Cl)C2O)C8O)C(Cl)=C7)C%10=CC(Cl)=C(O)C(=C%10)C=%11C(O)=CC(O)=CC%111

Other Names for this Substance

  • Ristomycin A aglycone, 22,31,45-trichloro-7-demethyl-64-O-demethyl-19-deoxy-, 11-(hydrogen sulfate)
  • 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A aglycone deriv.
  • Antibiotic A 47934
  • A 47934
  • LY 154989

Deleted or Replaced CAS Registry Numbers

99477-51-7