(-)-Emethallicin C
[CAS# 125187-55-5]

Identification

• Name: (-)-Emethallicin C
• Synonyms: 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))-; Emethallicin C
• Molecular Formula: C₃₄H₂₈N₂O₁₀S₄
• Molecular Weight: 752.84
• CAS Registry Number: 125187-55-5
• SMILES: C1=CC=CC=C1C(C(OC8C7N5C6(C(N2C(CC3=COC=CC(C23)OC(C(C4=CC=CC=C4)O)=O)(C5=O)SSSS6)=O)CC7=COC=C8)=O)O
• 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