β-Aflatrem
[CAS# 144446-23-1]

Identification

• Name: β-Aflatrem
• Synonyms: Aflatrem B; Beta-Aflatrem; 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 10-(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-, (3alpha,5balpha,7abeta,13balpha,13cbeta,15aalpha)-(+)-
• Molecular Formula: C₃₂H₃₉NO₄
• Molecular Weight: 501.66
• CAS Registry Number: 144446-23-1
• SMILES: CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=C6C=C(C=C7)C(C)(C)C=C)O)C
• InChI: 1S/C32H39NO4/c1-8-27(2,3)18-9-10-22-20(15-18)21-16-19-11-12-31(35)24-17-23(34)26-28(4,5)37-32(24,36-26)14-13-29(31,6)30(19,7)25(21)33-22/h8-10,15,17,19,26,33,35H,1,11-14,16H2,2-7H3/t19-,26-,29+,30+,31+,32-/m0/s1
• InChIKey: ONMXSHAELZXSPO-SDPXOEJRSA-N

Properties

• Density: 1.3±0.1g/cm³ (Expl.)
• Melting point: 188-190°C (Expl.)
• Boiling point: 663.6±55.0°C at 760 mmHg (Expl.)
• solubility: Soluble in Chloroform, Methanol