(8R-(6alpha,9beta,14beta,17R*,18S*))-5,8,9,14,15,16-Hexahydro-1,4,6,17-Tetrahydroxy-20-Methoxy-8-((2-Methoxy-2-Oxoethyl)Thio)-18-Methyl-5,16-Dioxo-9,8,14-(1)Buten(1)Yl(4)Ylideneanthra(1,2-b)Benz(f)Azocine-19-Carboxylic Acid
[CAS# 132645-97-7]

Identification

• Name: (8R-(6alpha,9beta,14beta,17R*,18S*))-5,8,9,14,15,16-Hexahydro-1,4,6,17-Tetrahydroxy-20-Methoxy-8-((2-Methoxy-2-Oxoethyl)Thio)-18-Methyl-5,16-Dioxo-9,8,14-(1)Buten(1)Yl(4)Ylideneanthra(1,2-b)Benz(f)Azocine-19-Carboxylic Acid
• Synonyms: Dynemicin S
• Molecular Formula: C₃₃H₂₇NO₁₁S
• Molecular Weight: 645.64
• CAS Registry Number: 132645-97-7
• SMILES: [C@@]15(SCC(OC)=O)[C@]6(O)[C@@H](NC2=C4C(=C(O)C=C12)C(=O)C3=C(O)C=CC(=C3C4=O)O)C7=C([C@H]5C(=C([C@@H]6C)C(=O)O)OC)C=CC=C7
• InChI: 1S/C33H27NO11S/c1-12-20(31(41)42)29(45-3)25-13-6-4-5-7-14(13)30-32(12,43)33(25,46-11-19(38)44-2)15-10-18(37)23-24(26(15)34-30)28(40)22-17(36)9-8-16(35)21(22)27(23)39/h4-10,12,25,30,34-37,43H,11H2,1-3H3,(H,41,42)/t12-,25-,30-,32+,33-/m0/s1
• InChIKey: AWGXXXUYJPWDHA-RGHGZZGCSA-N