[(8Z,12E,14E)-6-Hydroxy-5,11-Dimethoxy-3,7,9,15-Tetramethyl-16,20,22-Trioxo-17-Azabicyclo[16.3.1]Docosa-1(21),8,12,14,18-Pentaen-10-Yl] Carbamate
[CAS# 76207-83-5]

Identification

• Name: [(8Z,12E,14E)-6-Hydroxy-5,11-Dimethoxy-3,7,9,15-Tetramethyl-16,20,22-Trioxo-17-Azabicyclo[16.3.1]Docosa-1(21),8,12,14,18-Pentaen-10-Yl] Carbamate
• Synonyms: Carbamic Acid [(8Z,12E,14E)-6-Hydroxy-5,11-Dimethoxy-3,7,9,15-Tetramethyl-16,20,22-Trioxo-17-Azabicyclo[16.3.1]Docosa-1(21),8,12,14,18-Pentaen-10-Yl] Ester; Carbamic Acid [(8Z,12E,14E)-6-Hydroxy-16,20,22-Triketo-5,11-Dimethoxy-3,7,9,15-Tetramethyl-17-Azabicyclo[16.3.1]Docosa-1(21),8,12,14,18-Pentaen-10-Yl] Ester; Geldanamycin, 17-Demethoxy-
• Molecular Formula: C₂₈H₃₈N₂O₈
• Molecular Weight: 530.62
• CAS Registry Number: 76207-83-5
• SMILES: C\C1=C\C(C(O)C(OC)CC(CC2=CC(=O)C=C(NC(=O)C(=C/C=C/C(OC)C1OC(=O)N)/C)C2=O)C)C
• InChI: 1S/C28H38N2O8/c1-15-10-19-13-20(31)14-21(25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h7-9,12-15,17,22-24,26,32H,10-11H2,1-6H3,(H2,29,35)(H,30,34)/b9-7+,16-8+,18-12-
• InChIKey: ZRACUXWBSYZVLW-RJDZUQFESA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 756.761°C at 760 mmHg (Cal.)
• Flash point: 411.475°C (Cal.)