16,18-Bis(sulfooxy)-30-[2-(sulfooxy)-9-undecenyl]-Oxacyclotriacont-3-en-2-one trisodium salt
[CAS# 121313-79-9]

Identification

• Name: 16,18-Bis(sulfooxy)-30-[2-(sulfooxy)-9-undecenyl]-Oxacyclotriacont-3-en-2-one trisodium salt
• Synonyms: Trisodium [(28E)-30-Keto-16-Sulfato-2-[(E)-2-Sulfatoundec-9-Enyl]-1-Oxacyclotriacont-28-En-14-Yl] Sulfate; M-Gtf1; (2-Sulfonate-9-Undecenyl)Oxacyclotriacont-3-Ene-2-One-16,18-Disulfonate
• Molecular Formula: C₄₀H₇₁Na₃O₁₄S₃
• Molecular Weight: 941.14
• CAS Registry Number: 121313-79-9
• 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.[Na+].[Na+].[Na+]
• InChI: 1S/C40H74O14S3.3Na/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);;;/q;3*+1/p-3/b3-2+,33-28+
• InChIKey: AJPXCMCOXRBREG-WUQJAFNESA-K