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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-1H-indol-3-yl-N15-(tricyclo(3.3.1.13,7)dec-1ylcarbonyl)-
RN: 562105-46-8
InChIKey: YJALLMQOGVZGJD-NNGQZRTKSA-N

Molecular Formula

  • C69-H59-Cl2-N7-O19

Molecular Weight

  • 1361.1611
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-1H-indol-3-yl-N15-(tricyclo(3.3.1.13,7)dec-1ylcarbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-46-8

System Generated Number

  • 0562105468

Structure Descriptors

InChI

1S/C69H59Cl2N7O19/c70-41-12-27-1-7-47(41)96-50-19-35-20-51(60(50)85)97-48-8-4-33(17-42(48)71)59(84)58-66(91)76-57(67(92)93)40-22-37(80)23-46(83)52(40)39-16-31(2-5-44(39)81)53(63(88)77-58)74-65(90)56(35)75-64(89)55-34-14-36(79)21-38(15-34)95-49-18-32(3-6-45(49)82)54(62(87)72-43(13-27)61(86)73-55)78-68(94)69-24-28-9-29(25-69)11-30(10-28)26-69/h1-8,12,14-23,28-30,43,53-59,79-85H,9-11,13,24-26H2,(H,72,87)(H,73,86)(H,74,90)(H,75,89)(H,76,91)(H,77,88)(H,78,94)(H,92,93)/t28?,29?,30?,43-,53-,54-,55+,56-,57+,58+,59-,69?/m1/s1

InChIKey

YJALLMQOGVZGJD-NNGQZRTKSA-N

Smiles

c1cc2c(cc1C[C@@H]3C(=O)N[C@@H](c4cc(cc(c4)Oc5cc(ccc5O)[C@H](C(=O)N3)NC(=O)C67CC8CC(C6)CC(C8)C7)O)C(=O)N[C@@H]9c1cc(c(c(c1)Oc1ccc(cc1Cl)[C@H]([C@H]1C(=O)N[C@@H](c3cc(cc(c3-c3cc(ccc3O)[C@H](C(=O)N1)NC9=O)O)O)C(=O)O)O)O)O2)Cl