(3aS,4S,9R,9aR)-4-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-6,7-Dimethoxy-3a,4,9,9a-Tetrahydro-3H-Naphtho[3,2-c]Furan-1-One
[CAS# 138355-97-2]

Identification

• Name: (3aS,4S,9R,9aR)-4-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-6,7-Dimethoxy-3a,4,9,9a-Tetrahydro-3H-Naphtho[3,2-c]Furan-1-One
• Synonyms: (3As,4S,9R,9Ar)-4-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-6,7-Dimethoxy-3A,4,9,9A-Tetrahydro-3H-Benzo[F]Isobenzofuran-1-One; (3As,4S,9R,9Ar)-4-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-6,7-Dimethoxy-3A,4,9,9A-Tetrahydro-3H-Benzo[F]Isobenzofuran-1-One; (3As,4S,9R,9Ar)-4-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-6,7-Dimethoxy-3A,4,9,9A-Tetrahydro-3H-Naphtho[3,2-C]Furan-1-One
• Molecular Formula: C₂₈H₂₈FNO₇
• Molecular Weight: 509.53
• CAS Registry Number: 138355-97-2
• SMILES: [C@H]3(C1=CC(=C(C=C1[C@@H](NC2=CC=C(F)C=C2)[C@@H]4[C@@H]3C(OC4)=O)OC)OC)C5=CC(=C(C(=C5)OC)O)OC
• InChI: 1S/C28H28FNO7/c1-33-20-11-17-18(12-21(20)34-2)26(30-16-7-5-15(29)6-8-16)19-13-37-28(32)25(19)24(17)14-9-22(35-3)27(31)23(10-14)36-4/h5-12,19,24-26,30-31H,13H2,1-4H3/t19-,24+,25-,26+/m0/s1
• InChIKey: CSADSJIFHRWKJO-QNMIOERPSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 696.39°C at 760 mmHg (Cal.)
• Flash point: 374.963°C (Cal.)