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Substance Name: Emethallicin C
RN: 125187-55-5
InChIKey: DEIRUUOMXKDMID-UHFFFAOYSA-N

Note

  • From Emericella heterothallica; has inhibitory activity on histamine release from mast cells.

Molecular Formula

  • C34-H28-N2-O10-S4

Molecular Weight

  • 752.8632
 
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Names and Synonyms

Name of Substance

  • Emethallicin C

Synonym

  • (-)-Emethallicin C

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, (5S,5aS,7aR,12S,12aS,14aR)-5,5a,13,13a-tetrahydro-7,15-dioxo-8H,16H-7a,15a-epitetrathio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-5,13-diyl ester, (alphaR,alpha'R)-
  • Benzeneacetic acid, alpha-hydroxy-, 5,5a,13,13a-tetrahydro-7,15-dioxo-8H,16H-7a,15a-epitetrathio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-5,13-diyl ester, (5S-(5alpha(S*),5aalpha,7abeta,13alpha(S*),13aalpha,15abeta))-

Registry Numbers

CAS Registry Number

  • 125187-55-5

System Generated Number

  • 0125187555

Structure Descriptors

InChI

1S/C34H28N2O10S4/c37-27(19-7-3-1-4-8-19)29(39)45-23-11-13-43-17-21-15-33-32(42)36-26-22(16-34(36,48-50-49-47-33)31(41)35(33)25(21)23)18-44-14-12-24(26)46-30(40)28(38)20-9-5-2-6-10-20/h1-14,17-18,23-28,37-38H,15-16H2

InChIKey

DEIRUUOMXKDMID-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(C(=O)OC2C=COC=C3C2N4C(=O)C56CC7=COC=CC(C7N5C(=O)C4(C3)SSSS6)OC(=O)C(c8ccccc8)O)O