Dotriacolide
[CAS# 80994-06-5]

Identification

• Name: Dotriacolide
• Synonyms: [(30E)-32-Oxo-4,18-Disulfooxy-2-(8-Sulfooxynonyl)-1-Oxacyclodotriacont-30-En-16-Yl] Hydrogen Sulfate; [32-Keto-4,18-Disulfoxy-2-(8-Sulfoxynonyl)-1-Oxacyclodotriacont-30-En-16-Yl] Hydrogen Sulfate; [(30E)-32-Keto-4,18-Disulfoxy-2-(8-Sulfoxynonyl)-1-Oxacyclodotriacont-30-En-16-Yl] Hydrogen Sulfate
• Molecular Formula: C₄₀H₇₆O₁₈S₄
• Molecular Weight: 973.27
• CAS Registry Number: 80994-06-5
• SMILES: C(C1OC(=O)\C=C\CCCCCCCCCCCC(O[S](O)(=O)=O)CC(O[S](O)(=O)=O)CCCCCCCCCCCC(O[S](O)(=O)=O)C1)CCCCCCC(O[S](O)(=O)=O)C
• InChI: 1S/C40H76O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b32-26+
• InChIKey: YIIKXRWDWWBASM-HMZBKAONSA-N

Properties

• Density: 1.303g/cm³ (Cal.)