Diastovaricins II
[CAS# 102228-99-9]

Identification

• Name: Diastovaricins II
• Synonyms: (4E,6Z)-30-((2-(Acetylamino)-2-Carboxyethyl)Thio)-30-Dechloro-2-Demethylnaphthomycin A; Diastovaricin Ii; Diastovaricins Ii
• Molecular Formula: C₄₄H₅₂N₂O₁₂S
• Molecular Weight: 832.96
• CAS Registry Number: 102228-99-9
• SMILES: [C@H](NC(=O)C)(CSC2=C3NC(=O)\C=C\C=C/C=C/[C@@H]([C@@H](O)CC(=O)C(=C/C[C@H](O)/C=C/[C@@H]([C@H](O)[C@H](/C=C(C(=O)C1=C(O)C(=CC(=C1C2=O)C3=O)C)/C)C)C)/C)C)C(=O)O
• InChI: 1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8-,12-10+,13-11+,17-15+,23-14+,26-18-/t22-,24-,25-,29-,31-,32-,38-/m0/s1
• InChIKey: VEDOKYSBCNXSGP-FJKGIEQNSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 1136.421°C at 760 mmHg (Cal.)
• Flash point: 641.084°C (Cal.)