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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-
RN: 104581-77-3
InChIKey: PLVIBWSHKFMVSL-YYMLIVBDSA-N

Molecular Formula

  • C63-H53-Cl2-N7-O20

Molecular Weight

  • 1299.0467
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 104581-77-3

System Generated Number

  • 0104581773

Structure Descriptors

InChI

1S/C63H53Cl2N7O20/c1-63(2,3)92-62(88)72-48-26-6-9-39(76)43(18-26)89-32-15-28(14-30(73)21-32)49-58(83)69-50-29-19-44(90-41-10-4-24(12-35(41)64)13-37(55(80)67-49)66-56(48)81)54(79)45(20-29)91-42-11-7-27(17-36(42)65)53(78)52-60(85)70-51(61(86)87)34-22-31(74)23-40(77)46(34)33-16-25(5-8-38(33)75)47(57(82)71-52)68-59(50)84/h4-12,14-23,37,47-53,73-79H,13H2,1-3H3,(H,66,81)(H,67,80)(H,68,84)(H,69,83)(H,70,85)(H,71,82)(H,72,88)(H,86,87)/t37-,47-,48-,49+,50-,51+,52+,53-/m1/s1

InChIKey

PLVIBWSHKFMVSL-YYMLIVBDSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H]1c2ccc(c(c2)Oc3cc(cc(c3)O)[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)O)C(=O)O)O)O)Oc2ccc(cc2Cl)C[C@H](C(=O)N4)NC1=O)O