Emethallicin A
[CAS# 125187-56-6]

Identification

• Name: Emethallicin A
• Synonyms: Emethallicin A
• Molecular Formula: C₃₄H₂₈N₂O₈S₂
• Molecular Weight: 656.72
• CAS Registry Number: 125187-56-6
• SMILES: [C@@]148N(C(=O)[C@]3(SS1)CC2=CC=C[C@@H]([C@H]2N3C4=O)OC(=O)CC5=CC=CC=C5)[C@@H]7[C@@H](OC([C@@H](C6=CC=CC=C6)O)=O)C=COC=C7C8
• InChI: 1S/C34H28N2O8S2/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(36,46-45-33)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/t24-,25-,27-,28-,29+,33+,34+/m0/s1
• InChIKey: JJGPWGDUIHLXRM-TYQBLOPUSA-N

Properties

• Density: 1.588g/cm³ (Cal.)