Hitachimycin
[CAS# 77642-19-4]

Identification

• Name: Hitachimycin
• Synonyms: (1R,2E,4E,6E,10R,12E,16S,21S)-16,20-Dihydroxy-21-Methoxy-3-Methyl-10-Phenyl-9-Azabicyclo[17.3.0]Docosa-2,4,6,12,19-Pentaene-8,18-Dione; (1R,2Z,4E,6E,10R,12E,16S,21S)-16,20-Dihydroxy-21-Methoxy-3-Methyl-10-Phenyl-9-Azabicyclo[17.3.0]Docosa-2,4,6,12,19-Pentaene-8,18-Quinone; (1R,2E,4E,6E,10R,12E,16S,21S)-16,20-Dihydroxy-21-Methoxy-3-Methyl-10-Phenyl-9-Azabicyclo[17.3.0]Docosa-2,4,6,12,19-Pentaene-8,18-Quinone
• Molecular Formula: C₂₉H₃₅NO₅
• Molecular Weight: 477.60
• CAS Registry Number: 77642-19-4
• SMILES: [C@H]1\2C[C@H](OC)C(=C1C(=O)C[C@@H](O)CC\C=C\C[C@@H](NC(=O)/C=C/C=C/C(=C2)C)C3=CC=CC=C3)O
• InChI: 1S/C29H35NO5/c1-20-11-9-10-16-27(33)30-24(21-12-5-3-6-13-21)15-8-4-7-14-23(31)19-25(32)28-22(17-20)18-26(35-2)29(28)34/h3-6,8-13,16-17,22-24,26,31,34H,7,14-15,18-19H2,1-2H3,(H,30,33)/b8-4+,11-9+,16-10+,20-17+/t22-,23-,24+,26-/m0/s1
• InChIKey: PLQKHNPZPRTISL-IRGACJLJSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 720.989°C at 760 mmHg (Cal.)
• Flash point: 389.84°C (Cal.)