1,2,3-Trimethoxy-10-Methylsulfanyl-7-[(3,4,5-Trihydroxyoxan-2-Yl)Amino]-6,7-Dihydro-5H-Benzo[g]Heptalen-9-One
[CAS# 76155-18-5]

Identification

• Name: 1,2,3-Trimethoxy-10-Methylsulfanyl-7-[(3,4,5-Trihydroxyoxan-2-Yl)Amino]-6,7-Dihydro-5H-Benzo[g]Heptalen-9-One
• Synonyms: 1,2,3-Trimethoxy-10-Methylsulfanyl-7-[(3,4,5-Trihydroxytetrahydropyran-2-Yl)Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; 1,2,3-Trimethoxy-10-(Methylthio)-7-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; 1,2,3-Trimethoxy-10-(Methylthio)-7-[(3,4,5-Trihydroxytetrahydropyran-2-Yl)Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One
• Molecular Formula: C₂₅H₃₁NO₈S
• Molecular Weight: 505.58
• CAS Registry Number: 76155-18-5
• SMILES: C4=C3CCC(NC1OCC(O)C(O)C1O)C2=CC(=O)C(=CC=C2C3=C(OC)C(=C4OC)OC)SC
• InChI: 1S/C25H31NO8S/c1-31-18-9-12-5-7-15(26-25-22(30)21(29)17(28)11-34-25)14-10-16(27)19(35-4)8-6-13(14)20(12)24(33-3)23(18)32-2/h6,8-10,15,17,21-22,25-26,28-30H,5,7,11H2,1-4H3
• InChIKey: AQHVYUQJVBQVPK-UHFFFAOYSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 797.809°C at 760 mmHg (Cal.)
• Flash point: 436.299°C (Cal.)