(R)-2',3',8',8'a-Tetrahydro-5',6'-Dimethoxy-Spiro(2,5-Cyclohexadiene-1,7'(1'H)-Cyclopent(ij)Isoquinolin)-4-One Sulfate (2:1)
[CAS# 32410-24-5]

Identification

• Name: (R)-2',3',8',8'a-Tetrahydro-5',6'-Dimethoxy-Spiro(2,5-Cyclohexadiene-1,7'(1'H)-Cyclopent(ij)Isoquinolin)-4-One Sulfate (2:1)
• Synonyms: Stephaglabrine
• Molecular Formula: C₃₆H₄₀N₂O₁₀S
• Molecular Weight: 692.78
• CAS Registry Number: 32410-24-5
• SMILES: [C@H]13NCCC2=C1C(=C(OC)C(=C2)OC)C4(C3)C=CC(=O)C=C4.[C@H]57NCCC6=C5C(=C(OC)C(=C6)OC)C8(C7)C=CC(=O)C=C8.O=[S](=O)(O)O
• InChI: 1S/2C18H19NO3.H2O4S/c2*1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2;1-5(2,3)4/h2*3-4,6-7,9,13,19H,5,8,10H2,1-2H3;(H2,1,2,3,4)/t2*13-;/m11./s1
• InChIKey: WQXNJLWZONPQQK-WFEKIRLUSA-N

Properties

• Boiling point: 487.1°C at 760 mmHg (Cal.)
• Flash point: 248.4°C (Cal.)