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Substance Name: Pradimicin E
RN: 127985-27-7
InChIKey: HELMFNXPQUQJFY-UHFFFAOYSA-N

Note

  • From Actinomadura hibisca.

Molecular Weight

  • 812.73
 
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Names and Synonyms

Name of Substance

  • Pradimicin E

Synonym

  • Des-N-methyl-pradimicin D

Registry Numbers

CAS Registry Number

  • 127985-27-7

System Generated Number

  • 0127985277

Structure Descriptors

InChI

1S/C38H40N2O18/c1-10-4-16-23(30(49)20(10)36(53)40-8-19(43)44)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(41)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(39)11(2)56-38)58-37-32(51)29(48)18(42)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,41-42,47-52H,8-9,39H2,1-3H3,(H,40,53)(H,43,44)

InChIKey

HELMFNXPQUQJFY-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)[C@@H]1[C@@H]([C@@H](O[C@@H]2[C@@H](O)c3cc4C(c5c(O)cc(OC)cc5C(c4c(O)c3c3c(c(c(cc23)C)C(=O)NCC(O)=O)O)=O)=O)O[C@@H]([C@@H]1N)C)O