3alpha,7alpha,12alpha-Triformoxy-5beta-cholan-24-al
[CAS# 84965-66-2]

Identification

• Name: 3alpha,7alpha,12alpha-Triformoxy-5beta-cholan-24-al
• Synonyms: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diformyloxy-10,13-Dimethyl-17-[(1R)-1-Methyl-4-Oxo-Butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Formate; Formic Acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diformyloxy-10,13-Dimethyl-17-[(1R)-1-Methyl-4-Oxobutyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester; Formic Acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diformyloxy-17-[(1R)-4-Keto-1-Methyl-Butyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₂₇H₄₀O₇
• Molecular Weight: 476.61
• CAS Registry Number: 84965-66-2
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCC=O)C)[C@@]2(C)[C@H](C[C@H]34)OC=O)OC=O)C)OC=O
• InChI: 1S/C27H40O7/c1-17(5-4-10-28)20-6-7-21-25-22(13-24(34-16-31)27(20,21)3)26(2)9-8-19(32-14-29)11-18(26)12-23(25)33-15-30/h10,14-25H,4-9,11-13H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: ZTRYXNAUTGXGCK-XJZYBRFWSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 555.355°C at 760 mmHg (Cal.)
• Flash point: 234.464°C (Cal.)