[30-Oxo-16-Sulfooxy-2-[(E)-2-Sulfooxyundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Hydrogen Sulfate
[CAS# 76265-39-9]

Identification

• Name: [30-Oxo-16-Sulfooxy-2-[(E)-2-Sulfooxyundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Hydrogen Sulfate
• Synonyms: [(28E)-30-Oxo-16-Sulfooxy-2-[(E)-2-Sulfooxyundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Hydrogen Sulfate; [30-Keto-16-Sulfoxy-2-[(E)-2-Sulfoxyundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Hydrogen Sulfate; [(28E)-30-Keto-16-Sulfoxy-2-[(E)-2-Sulfoxyundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Hydrogen Sulfate
• Molecular Formula: C₄₀H₇₄O₁₄S₃
• Molecular Weight: 875.20
• CAS Registry Number: 76265-39-9
• SMILES: C(C(O[S](=O)(=O)O)CCCCCC\C=C\C)C1OC(=O)\C=C\CCCCCCCCCCCC(O[S](=O)(=O)O)CC(O[S](=O)(=O)O)CCCCCCCCCCC1
• InChI: 1S/C40H74O14S3/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b3-2+,33-28+
• InChIKey: ZIKVIJYTFFPQEA-JPKODDBNSA-N

Properties

• Density: 1.219g/cm³ (Cal.)