Cytovaricin
[CAS# 79553-45-0]

Identification

• Name: Cytovaricin
• Synonyms: Nsc 349622; Brn 4226438; Cytovaricin
• Molecular Formula: C₄₇H₈₀O₁₆
• Molecular Weight: 901.14
• CAS Registry Number: 79553-45-0
• SMILES: [C@H]45O[C@@]1(O[C@H]([C@H](CC1)C)C[C@H](O)CC)C[C@H](OC(=O)\C=C\[C@@](O)([C@@H](O)[C@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](OC)C2)C)[C@@H](O)[C@](O)(CCC/C=C/[C@H]3[C@](OC[C@H](C3)C)(O)C4)C)C)C)[C@@H]5C
• InChI: 1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47-/m0/s1
• InChIKey: NORZLTHXFWGSAT-TUHQYYMQSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 975.516°C at 760 mmHg (Cal.)
• Flash point: 275.009°C (Cal.)