21-(2-((15-Deoxy-16,17-Dihydro-19,24-Cyclo-20,24-Secoatisin-17-Yl)Oxy)Ethyl)-7,20-Cycloatid-16-En-15-Ol
[CAS# 144442-84-2]

Identification

• Name: 21-(2-((15-Deoxy-16,17-Dihydro-19,24-Cyclo-20,24-Secoatisin-17-Yl)Oxy)Ethyl)-7,20-Cycloatid-16-En-15-Ol
• Molecular Formula: C₄₄H₆₄N₂O₃
• Molecular Weight: 669.00
• CAS Registry Number: 144442-84-2
• SMILES: [C@H]12N(CC6([C@H]3C1([C@H]4C5([C@@H]2C3)[C@H](O)C([C@@H](C4)CC5)=C)CCC6)C)CCOCC%10C%11C[C@H]9C8%13[C@H]%12[C@]([C@H]7OCCN7C8C(C9(C%10)CC%11)C%12)(CCC%13)C
• InChI: 1S/C44H64N2O3/c1-25-26-7-13-42(37(25)47)30-21-31-39(2)8-4-10-43(31,34(42)18-26)35(30)45(24-39)14-16-48-23-28-22-41-12-6-27(28)19-33(41)44-11-5-9-40(3)32(44)20-29(41)36(44)46-15-17-49-38(40)46/h26-38,47H,1,4-24H2,2-3H3/t26-,27?,28?,29?,30-,31+,32-,33-,34-,35-,36?,37-,38-,39?,40-,41?,42?,43?,44?/m1/s1
• InChIKey: KVOUULIRGZGBLJ-KKRWWXOISA-N