1',2'-Didehydro-7',10,11-Trimethoxyemetan-6',9-Diol
[CAS# 16531-04-7]

Identification

• Name: 1',2'-Didehydro-7',10,11-Trimethoxyemetan-6',9-Diol
• Synonyms: (2R,3R,11Bs)-3-Ethyl-2-(6-Hydroxy-7-Methoxy-3,4-Dihydroisoquinolin-1-Ylmethyl)-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-8-Ol; Chebi:2535; Alangicine
• Molecular Formula: C₂₈H₃₆N₂O₅
• Molecular Weight: 480.60
• CAS Registry Number: 16531-04-7
• SMILES: [C@H]1([C@H](CN3[C@@H](C1)C2=CC(=C(OC)C(=C2CC3)O)OC)CC)CC5=C4C(=CC(=O)C(=C4)OC)CCN5
• InChI: 1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,29,32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1
• InChIKey: FYOKGHATLLPUPW-CEXJFXJFSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 675.346°C at 760 mmHg (Cal.)
• Flash point: 362.237°C (Cal.)