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Substance Name: Actaplanin C1
RN: 88357-85-1
UNII: WD05N2M942
InChIKey: UUVKRUMAJRLGEW-FPAFVXQFSA-N

Molecular Formula

  • C84-H91-Cl-N8-O34

Molecular Weight

  • 1792.1179
 
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Names and Synonyms

Name of Substance

  • Actaplanin C1

Synonyms

  • 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, actaplanin C1 deriv.
  • Actaplanin C1
  • UNII-WD05N2M942

Registry Numbers

CAS Registry Number

  • 88357-85-1

FDA UNII

  • WD05N2M942

System Generated Number

  • 0088357851

Structure Descriptors

InChI

1S/C84H91ClN8O34/c1-28-46(99)18-35-20-48(28)121-49-19-32(7-13-45(49)98)57(87)76(110)88-43-15-31-5-10-38(11-6-31)119-51-21-36-22-52(73(51)126-84-74(69(106)66(103)54(27-95)124-84)127-82-70(107)67(104)64(101)30(3)118-82)120-47-14-9-34(17-41(47)85)72(125-55-25-42(86)63(100)29(2)117-55)62-80(114)92-61(81(115)116-4)40-23-37(96)24-50(122-83-71(108)68(105)65(102)53(26-94)123-83)56(40)39-16-33(8-12-44(39)97)58(77(111)93-62)90-79(113)60(36)91-78(112)59(35)89-75(43)109/h5-14,16-24,29-30,42-43,53-55,57-72,74,82-84,94-108H,15,25-27,86-87H2,1-4H3,(H,88,110)(H,89,109)(H,90,113)(H,91,112)(H,92,114)(H,93,111)/t29-,30-,42-,43?,53-,54-,55?,57?,58?,59?,60?,61?,62?,63-,64-,65-,66-,67+,68+,69+,70+,71+,72?,74-,82?,83?,84?/m1/s1

InChIKey

UUVKRUMAJRLGEW-FPAFVXQFSA-N

Smiles

Cc1c(cc2cc1Oc3cc(ccc3O)C(C(=O)NC4Cc5ccc(cc5)Oc6cc7cc(c6OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)OC9[C@H]([C@H]([C@@H]([C@H](O9)C)O)O)O)Oc1ccc(cc1Cl)C(C1C(=O)NC(c3cc(cc(c3-c3cc(ccc3O)C(C(=O)N1)NC(=O)C7NC(=O)C2NC4=O)OC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)OC)OC1C[C@H]([C@@H]([C@H](O1)C)O)N)N)O