29-O-Demethyl-Swinholide A
[CAS# 132923-51-4]

Identification

• Name: 29-O-Demethyl-Swinholide A
• Synonyms: Swinholide C
• Molecular Formula: C₇₇H₁₃₀O₂₀
• Molecular Weight: 1375.86
• CAS Registry Number: 132923-51-4
• SMILES: C(C(C(O)C(C1OC(=O)\C=C\C(=C\CC(O)CC4OC(CC(OC)C(C(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(O)C3)C)C)C)C)C)CC=C4)C)C)C)CC5OC(CC(OC)C5)C
• InChI: 1S/C77H130O20/c1-44-22-28-56(78)36-59-19-17-21-62(95-59)41-71(91-15)51(8)67(82)43-69(84)53(10)77(55(12)75(88)47(4)27-31-64-39-65(89-13)35-49(6)93-64)97-73(86)33-25-45(2)23-29-57(79)37-60-18-16-20-61(94-60)40-70(90-14)50(7)66(81)42-68(83)52(9)76(96-72(85)32-24-44)54(11)74(87)46(3)26-30-63-38-58(80)34-48(5)92-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/b32-24+,33-25+,44-22+,45-23+
• InChIKey: KHVNUSQFQXCPIZ-FPKNFUJMSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1261.6±65.0°C at 760 mmHg (Cal.)
• Flash point: 312.4±27.8°C (Cal.)