Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetyloxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
[CAS# 3749-87-9]

Identification

• Name: Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetyloxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
• Synonyms: Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate; (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Methyl Ester
• Molecular Formula: C₂₉H₄₆O₇
• Molecular Weight: 506.68
• CAS Registry Number: 3749-87-9
• EINECS: 223-151-6
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1OC(=O)C)C[C@H](OC(=O)C)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)OC)C)C
• InChI: 1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
• InChIKey: VKXXPYARELKQOY-CXFLVZIOSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 561.042°C at 760 mmHg (Cal.)
• Flash point: 171.562°C (Cal.)