Emethallicin B
[CAS# 125187-54-4]

Identification

• Name: Emethallicin B
• Synonyms: Emethallicin B
• Molecular Formula: C₃₄H₂₈N₂O₈S₄
• Molecular Weight: 720.84
• CAS Registry Number: 125187-54-4
• SMILES: C8=C(C(C(OC7C6N4C5(C(N3C1C(=CC=CC1OC(=O)CC2=CC=CC=C2)CC3(C4=O)SSSS5)=O)CC6=COC=C7)=O)O)C=CC=C8
• InChI: 1S/C34H28N2O8S4/c37-26(16-20-8-3-1-4-9-20)43-24-13-7-12-22-17-33-31(40)36-28-23(18-34(36,46-48-47-45-33)32(41)35(33)27(22)24)19-42-15-14-25(28)44-30(39)29(38)21-10-5-2-6-11-21/h1-15,19,24-25,27-29,38H,16-18H2
• InChIKey: DWIZDFTWKPAWJV-UHFFFAOYSA-N

Properties

• Density: 1.635g/cm³ (Cal.)