[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 3-(2,5-Dioxopyrrol-1-Yl)Benzoate
[CAS# 73499-12-4]

Identification

• Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 3-(2,5-Dioxopyrrol-1-Yl)Benzoate
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 3-(2,5-Dioxopyrrol-1-Yl)Benzoate; 3-(2,5-Dioxo-1-Pyrrolyl)Benzoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 3-Maleimidobenzoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₂H₃₅NO₈
• Molecular Weight: 561.63
• CAS Registry Number: 73499-12-4
• SMILES: [C@@H]23CCC1=CC(CC[C@@]1([C@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(COC(C5=CC=CC(=C5)N6C(C=CC6=O)=O)=O)=O)O)C)O)C)=O
• InChI: 1S/C32H35NO8/c1-30-12-10-21(34)15-19(30)6-7-22-23-11-13-32(40,31(23,2)16-24(35)28(22)30)25(36)17-41-29(39)18-4-3-5-20(14-18)33-26(37)8-9-27(33)38/h3-5,8-9,14-15,22-24,28,35,40H,6-7,10-13,16-17H2,1-2H3/t22-,23-,24-,28+,30-,31-,32-/m0/s1
• InChIKey: FPVXSOSBZZTXSE-QVGKNZPGSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 769.842°C at 760 mmHg (Cal.)
• Flash point: 419.385°C (Cal.)