Phorboxazole A
[CAS# 165883-76-1]

Identification

• Name: Phorboxazole A
• Molecular Formula: C₅₃H₇₁BrN₂O₁₃
• Molecular Weight: 1024.05
• CAS Registry Number: 165883-76-1
• SMILES: [C@H]57O[C@H](C[C@@H]1O[C@H](CC(C1)=C)C\C=C\C(OC2[C@@H](C(O[C@H]([C@@H]2C)\C(=C\C3=COC(=N3)C[C@]4(O[C@H](C[C@@H](OC)C4)[C@H](O)\C=C(\C=C\[C@H](OC)C\C=C\Br)C)O)C)C\C=C/C6=NC5=CO6)C)=O)C[C@@H](O)C7
• InChI: 1S/C53H71BrN2O13/c1-31(16-17-38(61-6)12-10-18-54)21-44(58)47-26-42(62-7)27-53(60,69-47)28-49-55-36(29-63-49)22-33(3)51-35(5)52-34(4)45(67-51)13-9-14-48-56-43(30-64-48)46-24-37(57)23-41(66-46)25-40-20-32(2)19-39(65-40)11-8-15-50(59)68-52/h8-10,14-18,21-22,29-30,34-35,37-42,44-47,51-52,57-58,60H,2,11-13,19-20,23-28H2,1,3-7H3/b14-9-,15-8+,17-16+,18-10+,31-21+,33-22+/t34-,35+,37-,38-,39+,40-,41+,42-,44-,45?,46-,47-,51+,52?,53+/m1/s1
• InChIKey: RIMCCZQKPGAGSV-ORDOQVNCSA-N