Notonesomycin A
[CAS# 102525-63-3]

Identification

• Name: Notonesomycin A
• Synonyms: Nsc608604; Notonesomycin
• Molecular Formula: C₆₈H₁₁₁NO₃₀S
• Molecular Weight: 1454.67
• CAS Registry Number: 102525-63-3
• SMILES: C2=C(OC1OC(C(O)CC1)C)C(=CC=C2C(OC6C(OC)C(OC(OC(C(C(O)C(C(O)C(C5OC(=O)\C=C\CC(O)CC(O)CCCCC(C(O)C(O)C3(OC(CC(O[S](=O)(=O)O)C3O)CC(OC(=O)CC(=O)O)CC(O)CCCC(O)C4OC4C5C)O)C)C)C)C)CC)C6)C)=O)NC
• InChI: 1S/C68H111NO30S/c1-11-49(93-57-31-51(63(89-10)39(8)91-57)95-67(84)40-22-23-46(69-9)50(26-40)94-56-25-24-47(73)38(7)90-56)34(3)59(80)35(4)60(81)36(5)61-37(6)62-64(97-62)48(74)20-14-18-43(72)28-44(92-55(78)32-53(75)76)29-45-30-52(99-100(86,87)88)65(82)68(85,98-45)66(83)58(79)33(2)16-12-13-17-41(70)27-42(71)19-15-21-54(77)96-61/h15,21-23,26,33-39,41-45,47-49,51-52,56-66,69-74,79-83,85H,11-14,16-20,24-25,27-32H2,1-10H3,(H,75,76)(H,86,87,88)/b21-15+
• InChIKey: HVHQPPAFOWCAJP-RCCKNPSSSA-N

Properties

• Density: 1.395g/cm³ (Cal.)