14-Dodecyl-14-Thiaadriamycin
[CAS# 83291-66-1]

Identification

• Name: 14-Dodecyl-14-Thiaadriamycin
• Synonyms: 7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-9-(2-Dodecylsulfanylacetyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 7-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-9-[2-(Dodecylthio)-1-Oxoethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6,9,11-Trihydroxy-9-[2-(Laurylthio)Acetyl]-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₉H₅₃NO₁₀S
• Molecular Weight: 727.91
• CAS Registry Number: 83291-66-1
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=O)CSCCCCCCCCCCCC)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C39H53NO10S/c1-4-5-6-7-8-9-10-11-12-13-17-51-21-28(41)39(47)19-24-31(27(20-39)50-29-18-25(40)34(42)22(2)49-29)38(46)33-32(36(24)44)35(43)23-15-14-16-26(48-3)30(23)37(33)45/h14-16,22,25,27,29,34,42,44,46-47H,4-13,17-21,40H2,1-3H3
• InChIKey: KOFZHCJRLHGZNO-UHFFFAOYSA-N