Brucine sulfate heptahydrate

• Catalog Number: ACM60583393
• CAS: 60583-39-3
• IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-Dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
• Synonyms: Brucine sulfate
• Molecular Weight: 1013.11
• Molecular Formula: C46H68N4O19S
• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
• InChI: InChI=1S/2C23H26N2O4.H₂O4S.7H₂O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
• InChI Key: PPJIVFYMRNHHTJ-JYGVWXPPSA-N
• Boiling Point: 633.7ºC at 760 mmHg
• Melting Point: 180 °C
• Flash Point: 337.1 °C
• Purity: 98%
• Solubility: Soluble in hot water
• Appearance: Off-white crystalline powder
• Active Content: 95%
• Physical State: Solid
• Typical Applications: Skin conditioning