Virustomycin A
[CAS# 84777-85-5]

Identification

• Name: Virustomycin A
• Synonyms: [(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-Ethyl-10,12-Dihydroxy-3,17-Dimethoxy-7,9,13,15-Tetramethyl-18-Oxo-1-Oxacyclooctadeca-4,6,14,16-Tetraen-2-Yl]-2-Hydroxy-1-Methyl-Butyl]-2-Hydroxy-5-Methyl-6-[(Z)-Prop-1-Enyl]Tetrahydropyran-4-Yl] (E)-4-[(2-Hydroxy-5-Oxo-1-Cyclopentenyl)Amino]-4-Oxo-But-2-Enoate; (E)-4-[(2-Hydroxy-5-Oxo-1-Cyclopentenyl)Amino]-4-Oxobut-2-Enoic Acid [(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-Ethyl-10,12-Dihydroxy-3,17-Dimethoxy-7,9,13,15-Tetramethyl-18-Oxo-1-Oxacyclooctadeca-4,6,14,16-Tetraen-2-Yl]-2-Hydroxy-1-Methylbutyl]-2-Hydroxy-5-Methyl-6-[(Z)-Prop-1-Enyl]-4-Tetrahydropyranyl] Ester; (E)-4-[(2-Hydroxy-5-Keto-1-Cyclopentenyl)Amino]-4-Keto-But-2-Enoic Acid [(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-Ethyl-10,12-Dihydroxy-18-Keto-3,17-Dimethoxy-7,9,13,15-Tetramethyl-1-Oxacyclooctadeca-4,6,14,16-Tetraen-2-Yl]-2-Hydroxy-1-Methyl-Butyl]-2-Hydroxy-5-Methyl-6-[(Z)-Prop-1-Enyl]Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₄₈H₇₁NO₁₄
• Molecular Weight: 886.09
• CAS Registry Number: 84777-85-5
• SMILES: [C@]2(O[C@@H]([C@H]([C@H](OC(=O)\C=C\C(=O)NC1=C(O)CCC1=O)C2)C)\C=C/C)(O)[C@H]([C@H](O)[C@@H](C3OC(=O)C(=C\C(=C/[C@H]([C@@H](O)[C@H]([C@@H](O)[C@@H](CC(=C\C=C/[C@@H]3OC)/C)C)CC)C)C)/OC)C)C
• InChI: 1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12-,17-14-,21-20+,26-16-,27-23-,38-24+/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46?,48-/m1/s1
• InChIKey: YIKWIQAIKGWYCF-SRBICYAVSA-N