Ethyl [(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbamate
[CAS# 86436-42-2]

Identification

• Name: Ethyl [(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbamate
• Synonyms: (1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-carbamic acid ethyl ester; BENZO(a)HEPTALENE-7-CARBAMIC ACID, 5,6,7,9-TETRAHYDRO-9-OXO-1,2,3,10-TETRAMETHOX
• Molecular Formula: C₂₃H₂₇NO₇
• Molecular Weight: 429.46
• CAS Registry Number: 86436-42-2
• SMILES: CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
• InChI: 1S/C23H27NO7/c1-6-31-23(26)24-16-9-7-13-11-19(28-3)21(29-4)22(30-5)20(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1
• InChIKey: NLHICQCHEWUHCR-INIZCTEOSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 694.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 373.5±31.5°C (Cal.)