16-Demethyl-Swinholide A
[CAS# 132943-68-1]

Identification

• Name: 16-Demethyl-Swinholide A
• Synonyms: Swinholide B
• Molecular Formula: C₇₇H₁₃₀O₂₀
• Molecular Weight: 1375.86
• CAS Registry Number: 132943-68-1
• SMILES: C(C(C(O)C(C1OC(=O)\C=C\C(=C\CC(O)CC4OC(CC(OC)CC(O)CC(O)C(C(OC(=O)\C=C\C(=C\CC(O)CC2OC(CC(OC)C(C(O)CC(O)C1C)C)CC=C2)C)C(C(O)C(CCC3OC(CC(OC)C3)C)C)C)C)CC=C4)C)C)C)CC5OC(CC(OC)C5)C
• InChI: 1S/C77H130O20/c1-45-22-28-56(78)36-59-18-16-20-61(94-59)40-67(90-14)38-58(80)39-68(81)52(8)76(54(10)74(86)47(3)26-30-63-41-65(88-12)34-49(5)92-63)96-72(84)32-24-46(2)23-29-57(79)37-60-19-17-21-62(95-60)43-71(91-15)51(7)69(82)44-70(83)53(9)77(97-73(85)33-25-45)55(11)75(87)48(4)27-31-64-42-66(89-13)35-50(6)93-64/h16-19,22-25,32-33,47-71,74-83,86-87H,20-21,26-31,34-44H2,1-15H3/b32-24+,33-25+,45-22+,46-23+
• InChIKey: UBEMSBNKOSVIQI-IPTQAPOUSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 1247.645°C at 760 mmHg (Cal.)
• Flash point: 308.216°C (Cal.)