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Substance Name: 12.13-Dibromopseurotin
RN: 58546-67-1
InChIKey: LDAAGGJQWQILET-AMOXFCCISA-N

Note

  • A minor metabolite from culture filtrates of Pseudeurotium ovalis Stolk.

Molecular Weight

  • 591.247
 
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Names and Synonyms

Name of Substance

  • 12.13-Dibromopseurotin

Systematic Name

  • 1-Oxa-7-azaspiro(4.4)non-2-ene-4,6-dione, 8-benzoyl-2-(3,4-dibromo-1,2-dihydroxyhexyl)-9-hydroxy-8-methoxy-3-methyl-, (5S-(2(1R*,2S*,3R*,4R*),5alpha,8beta,9beta))-

Registry Numbers

CAS Registry Number

  • 58546-67-1

System Generated Number

  • 0058546671

Structure Descriptors

InChI

1S/C22H25Br2NO8/c1-4-12(23)13(24)14(26)15(27)16-10(2)17(28)21(33-16)19(30)22(32-3,25-20(21)31)18(29)11-8-6-5-7-9-11/h5-9,12-15,19,26-27,30H,4H2,1-3H3,(H,25,31)/t12-,13+,14-,15-,19+,21+,22+/m0/s1

InChIKey

LDAAGGJQWQILET-AMOXFCCISA-N

Smiles

C1(=O)[C@@]2(C(N[C@@]([C@@H]2O)(C(=O)c2ccccc2)OC)=O)OC([C@@H](O)[C@@H](O)[C@H](Br)[C@@H](Br)CC)=C1C