Delgrandine
[CAS# 145237-05-4]

Identification

• Name: Delgrandine
• Molecular Formula: C₄₁H₄₃NO₁₂
• Molecular Weight: 741.79
• CAS Registry Number: 145237-05-4
• SMILES: CC(=O)OC1C2C(C3C4C56C1C3(CC2=C)C(C(C5C(C(C(C6OC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)(C)C=O)N4C)O)OC(=O)C8=CC=CC=C8
• InChI: 1S/C41H43NO12/c1-19-17-40-26-28(53-37(48)23-13-9-7-10-14-23)25(19)29(50-20(2)44)32(40)41-31(27(34(40)47)42(6)33(26)41)39(5,18-43)35(51-21(3)45)30(36(41)52-22(4)46)54-38(49)24-15-11-8-12-16-24/h7-16,18,25-36,47H,1,17H2,2-6H3/t25-,26?,27+,28-,29+,30?,31+,32+,33+,34+,35-,36?,39-,40-,41+/m0/s1
• InChIKey: XDDAEJYWWRYPIF-PWXQXWHXSA-N