22,31,45-Trichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone

CAS Registry Number®

89139-41-3

CAS Name

22,31,45-Trichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone

Molecular Formula

C58H44Cl3N7O18

Molecular Mass

1233.37

Cite this Page

22,31,45-Trichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89139-41-3 (retrieved 2024-11-23) (CAS RN: 89139-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1

InChIKey

InChIKey=KJTFTWQSEBLIPM-QLRHZSCISA-N

SMILES

OC1=C2C([C@@H](C(O)=O)NC(=O)[C@@]3([C@H](O)C=4C=C(Cl)C(=CC4)OC=5C=C6[C@](C(=O)N[C@](C=7C=C2C(O)=C(Cl)C7)(C(=O)N3)[H])(NC(=O)[C@@]8(C=9C=C(OC=%10C=C([C@@H](N)C(=O)N[C@@](C(=O)N8)(CC=%11C=C(Cl)C(OC(=C6)C5O)=CC%11)[H])C=CC%10O)C=C(O)C9)[H])[H])[H])=CC(O)=C1

Canonical SMILES

O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)C5=CC=C(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-
  • 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.
  • 22,31,45-Trichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone
  • Antibiotic A 41030A
  • A 41030A

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CAS INSIGHTSTM
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