(3bR-trans)-3b,4,5,9b,10,11-Hexahydro-6-Methoxy-9b-Methyl-7-(1-Methylethyl)-Phenanthro(1,2-c)Furan-1(3H)-One
[CAS# 74311-48-1]

Identification

• Name: (3bR-trans)-3b,4,5,9b,10,11-Hexahydro-6-Methoxy-9b-Methyl-7-(1-Methylethyl)-Phenanthro(1,2-c)Furan-1(3H)-One
• Synonyms: (3Br,9Bs)-7-Isopropyl-6-Methoxy-9B-Methyl-3,3B,4,5,10,11-Hexahydronaphtho[3,4-E]Isobenzofuran-1-One; Phenanthro(1,2-C)Furan-1(3H)-One, 3B,4,5,9B,10,11-Hexahydro-6-Methoxy-9B-Methyl-7-(1-Methylethyl)-, (3Br-Trans)-; Triptophenolide Methyl Ether
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 74311-48-1
• SMILES: [C@H]23[C@@](C1=CC=C(C(=C1CC2)OC)C(C)C)(CCC4=C3COC4=O)C
• InChI: 1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
• InChIKey: JQYCSQASGZODFD-GHTZIAJQSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 504.232°C at 760 mmHg (Cal.)
• Flash point: 218.376°C (Cal.)