6-Hydroxy-7-O-methylscytophycin B
[CAS# 127999-44-4]

Identification

• Name: 6-Hydroxy-7-O-methylscytophycin B
• Synonyms: N-[(E,3R,4R,5R,9S,10S,11S)-10-Hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-Hydroxy-3,5,7,17-Tetramethoxy-8,14-Dimethyl-11-Oxo-Spiro[10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Triene-4,2'-Oxirane]-9-Yl]-4-Methoxy-3,5,9-Trimethyl-6-Oxo-Dodec-1-Enyl]-N-Methyl-Formamide; N-[(E,3R,4R,5R,9S,10S,11S)-10-Hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-Hydroxy-3,5,7,17-Tetramethoxy-8,14-Dimethyl-11-Oxo-9-Spiro[10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Triene-4,2'-Oxirane]Yl]-4-Methoxy-3,5,9-Trimethyl-6-Oxododec-1-Enyl]-N-Methylformamide; N-[(E,3R,4R,5R,9S,10S,11S)-10-Hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-Hydroxy-11-Keto-3,5,7,17-Tetramethoxy-8,14-Dimethyl-Spiro[10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Triene-4,2'-Oxirane]-9-Yl]-6-Keto-4-Methoxy-3,5,9-Trimethyl-Dodec-1-Enyl]-N-Methyl-Formamide
• Molecular Formula: C₄₆H₇₅NO₁₃
• Molecular Weight: 850.10
• CAS Registry Number: 127999-44-4
• SMILES: [C@]13(OC1)[C@@H](OC)C[C@H]2O[C@@H](C=CC2)C[C@@H](OC)[C@@H](O)/C=C(/C=C/C(O[C@@H]([C@H]([C@H](OC)C[C@@H]3OC)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](\C=C\N(C=O)C)C)C)C)C)=O)C
• InChI: 1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1
• InChIKey: FTGOWEQDZZMPNJ-GUMZKTDUSA-N