2-[[3,12-Dihydroxy-4,4,7,10,14-Pentamethyl-17-[6-Methyl-2-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhept-5-En-2-Yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-6-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 75139-45-6]

Identification

• Name: 2-[[3,12-Dihydroxy-4,4,7,10,14-Pentamethyl-17-[6-Methyl-2-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhept-5-En-2-Yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-6-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: 2-[[17-[1,5-Dimethyl-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hex-4-Enyl]-3,12-Dihydroxy-4,4,7,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[[17-[1,5-Dimethyl-1-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Hex-4-Enyl]-3,12-Dihydroxy-4,4,7,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[[17-[1,5-Dimethyl-1-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Hex-4-Enyl]-3,12-Dihydroxy-4,4,7,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₂H₇₂O₁₄
• Molecular Weight: 801.02
• CAS Registry Number: 75139-45-6
• SMILES: C(C6C(C(C(C(OC4C1C(C(O)CCC1(C3CC(C2C(CCC2(C3C4C)C)C(C)(CCC=C(C)C)OC5C(O)C(O)C(O)C(CO)O5)O)C)(C)C)O6)O)O)O)O
• InChI: 1S/C42H72O14/c1-19(2)10-9-13-42(8,56-38-34(52)32(50)30(48)25(18-44)54-38)21-11-14-41(7)27-20(3)35(55-37-33(51)31(49)29(47)24(17-43)53-37)36-39(4,5)26(46)12-15-40(36,6)22(27)16-23(45)28(21)41/h10,20-38,43-52H,9,11-18H2,1-8H3
• InChIKey: IMRDPGPCESGXDB-UHFFFAOYSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 902.704°C at 760 mmHg (Cal.)
• Flash point: 499.738°C (Cal.)