Misakinolide A
[CAS# 105304-96-9]

Identification

• Name: Misakinolide A
• Synonyms: Bistheonellide A
• Molecular Formula: C₇₄H₁₂₈O₂₀
• Molecular Weight: 1337.81
• CAS Registry Number: 105304-96-9
• SMILES: [C@@H]2(OC(C(=C/C[C@@H](C[C@H]4O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@@H]([C@H]([C@H]([C@H](CC[C@@H]1O[C@H](C[C@H](C1)OC)C)C)O)C)OC(C(=C/C[C@@H](C[C@H]3O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]2C)O)O)C)OC)CC=C3)O)/C)=O)C)O)O)C)OC)CC=C4)O)/C)=O)[C@H]([C@H]([C@H](CC[C@@H]5O[C@H](C[C@H](C5)OC)C)C)O)C
• InChI: 1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/b43-23+,44-24+/t41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-/m0/s1
• InChIKey: CNXAVQHYRALFDY-VIPNGKGCSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 1219.697°C at 760 mmHg (Cal.)
• Flash point: 303.557°C (Cal.)