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Substance Name: Tirandalydigin
RN: 114118-91-1
InChIKey: LTYHWFXVSQHTQH-BWPJEIAHSA-N

Note

  • Isolated from Streptomyces strain AB 1006A-9.

Molecular Weight

  • 401.4563
 
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Names and Synonyms

Name of Substance

  • Tirandalydigin

Systematic Name

  • 2,4-Pyrrolidinedione, 3-(6-(1,4-dimethylspiro(2,9-dioxabicyclo(3.3.1)non-6-ene-8,2'-oxiran)-3-yl)-1-hydroxy-4-methyl-2,4-heptadienylidene)-, (1alpha,3alpha(1E,2E,4E,6R*),4beta,5alpha,8alpha)-(-)-

Registry Numbers

CAS Registry Number

  • 114118-91-1

System Generated Number

  • 0114118911

Structure Descriptors

InChI

1S/C22H27NO6/c1-12(5-6-15(24)18-16(25)10-23-20(18)26)9-13(2)19-14(3)17-7-8-22(11-27-22)21(4,28-17)29-19/h5-9,13-14,17,19,24H,10-11H2,1-4H3,(H,23,26)/b6-5+,12-9+,18-15-/t13-,14+,17-,19-,21-,22?/m1/s1

InChIKey

LTYHWFXVSQHTQH-BWPJEIAHSA-N

Smiles

C[C@H]1[C@H]2C=CC3(CO3)[C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/4\C(=O)CNC4=O)/O)C