(S)-7-[(beta-D-Glucopyranosyl)Amino]-6,7-Dihydro-1,2,3-Trimethoxy-10-(Methylthio)Benzo[a]Heptalen-9(5H)-One
[CAS# 66568-82-9]

Identification

• Name: (S)-7-[(beta-D-Glucopyranosyl)Amino]-6,7-Dihydro-1,2,3-Trimethoxy-10-(Methylthio)Benzo[a]Heptalen-9(5H)-One
• Synonyms: 1,2,3-Trimethoxy-10-Methylsulfanyl-7-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; 1,2,3-Trimethoxy-10-(Methylthio)-7-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; 1,2,3-Trimethoxy-10-(Methylthio)-7-[(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One
• Molecular Formula: C₂₆H₃₃NO₉S
• Molecular Weight: 535.61
• CAS Registry Number: 66568-82-9
• SMILES: C4=C3CCC(NC1OC(CO)C(O)C(O)C1O)C2=CC(=O)C(=CC=C2C3=C(OC)C(=C4OC)OC)SC
• InChI: 1S/C26H33NO9S/c1-33-17-9-12-5-7-15(27-26-23(32)22(31)21(30)18(11-28)36-26)14-10-16(29)19(37-4)8-6-13(14)20(12)25(35-3)24(17)34-2/h6,8-10,15,18,21-23,26-28,30-32H,5,7,11H2,1-4H3
• InChIKey: ACIAPWKOTHFOAA-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 839.836°C at 760 mmHg (Cal.)
• Flash point: 461.716°C (Cal.)