Neocarzinostatin Chromophore
[CAS# 81604-85-5]

Identification

• Name: Neocarzinostatin Chromophore
• Synonyms: Neocarzinostatin-Chromophore; C12049; Neocarzinostatin Chromophore
• Molecular Formula: C₃₅H₃₃NO₁₂
• Molecular Weight: 659.65
• CAS Registry Number: 81604-85-5
• SMILES: [C@]16(O[C@@H]1C#C/C=C/4C(=C[C@@H](OC(C2=C(C=CC3=C2C=C(C=C3C)OC)O)=O)[C@@H]4O[C@@H]5[C@@H]([C@@H](O)[C@H]([C@H](O5)C)O)NC)C#C6)[C@@H]7OC(=O)OC7
• InChI: 1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1
• InChIKey: QZGIWPZCWHMVQL-UIYAJPBUSA-N