Tetrahydroechinocandin B
[CAS# 54651-06-8]

Identification

• Name: Tetrahydroechinocandin B
• Synonyms: Aids009262; L-687,901; Tetrahydroechinocandin B
• Molecular Formula: C₅₂H₈₅N₇O₁₆
• Molecular Weight: 1064.28
• CAS Registry Number: 54651-06-8
• SMILES: C4=C(C(O)C(O)C1NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCCCCCCCC)CC(O)C(O)NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2O)C)C(O)C)CC(O)C3)C=CC(=C4)O
• InChI: 1S/C52H85N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)
• InChIKey: CSFSSKWGOYOSPM-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 1365.257°C at 760 mmHg (Cal.)
• Flash point: 779.479°C (Cal.)