Aflatrem
[CAS# 70553-75-2]

Identification

• Name: Aflatrem
• Synonyms: Nsc629669; {4H-3,15A-Epoxy-1-Benzoxepino[6',7':6,7]Indeno[1,} 2-B]Indol-4- One, 9-(1,1-Dimethyl-2-Propenyl)-2,3,5B,6,7,7A,8,13, 13B, 13C,14,15-Dodecahydro-5B-Hydroxy-2,2,13B,13C-Tetramethyl-, {[3R-(3.Alpha.,5B.Alpha.,7A.Beta.,13B.Alpha.,13C.Beta.,} 15A.Alpha.)]-; 4H-3,15A-Epoxy-1-Benzoxepino(6',7':6,7)Indeno(1,2-B)Indol-4-One, 9-(1,1-Dimethyl-2-Propenyl)-2,3,5B,6,7,7A,8,13,13B,13C,14,15-Dodecahydro-5B-Hydroxy-2,2,13B,13C-Tetramethyl-, (3R-(3Alpha,5Balpha,7Abeta,13Balpha,13Cbeta,15Aalpha))-
• Molecular Formula: C₃₂H₃₉NO₄
• Molecular Weight: 501.66
• CAS Registry Number: 70553-75-2
• SMILES: C2=C1[NH]C3=C(C1=C(C(C=C)(C)C)C=C2)CC4CCC5(C(C34C)(C)CCC67C5=CC(C(O6)C(O7)(C)C)=O)O
• InChI: 1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3
• InChIKey: YVDJBQQJIDPRKP-UHFFFAOYSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 663.649°C at 760 mmHg (Cal.)
• Flash point: 355.162°C (Cal.)