5-Acetamido-2-[[10,13-Dimethyl-17-(6-Methylheptan-2-Yl)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-3,4-Dihydroxy-6-(1,2,3-Trihydroxypropyl)Oxane-2-Carboxylic Acid
[CAS# 145402-49-9]

Identification

• Name: 5-Acetamido-2-[[10,13-Dimethyl-17-(6-Methylheptan-2-Yl)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-3,4-Dihydroxy-6-(1,2,3-Trihydroxypropyl)Oxane-2-Carboxylic Acid
• Synonyms: 3-Sct; 5-Acetamido-2-[[17-(1,5-Dimethylhexyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4-Dihydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Carboxylic Acid; 5-Acetamido-2-[[17-(1,5-Dimethylhexyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4-Dihydroxy-6-(1,2,3-Trihydroxypropyl)-2-Tetrahydropyrancarboxylic Acid
• Molecular Formula: C₃₈H₆₃NO₁₀
• Molecular Weight: 693.92
• CAS Registry Number: 145402-49-9
• SMILES: C(C(C5C4(C(C1C(C3(C(=CC1)CC(OC2(OC(C(NC(=O)C)C(O)C2O)C(O)C(O)CO)C(=O)O)CC3)C)CC4)CC5)C)C)CCC(C)C
• InChI: 1S/C38H63NO10/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(14-16-36(23,5)28(25)15-17-37(26,27)6)48-38(35(46)47)34(45)32(44)30(39-22(4)41)33(49-38)31(43)29(42)19-40/h10,20-21,24-34,40,42-45H,7-9,11-19H2,1-6H3,(H,39,41)(H,46,47)
• InChIKey: UDPJDRACLCLYJE-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 885.517°C at 760 mmHg (Cal.)
• Flash point: 489.343°C (Cal.)