Bolmantalate
[CAS# 1491-81-2]

Identification

• Name: Bolmantalate
• Synonyms: 1-Adamantanecarboxylic Acid [(9S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Adamantane-1-Carboxylic Acid [(9S,14S,17S)-3-Keto-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 17Beta-Hydroxyestr-4-En-3-One 1-Adamantanecarboxylate
• Molecular Formula: C₂₉H₄₀O₃
• Molecular Weight: 436.63
• CAS Registry Number: 1491-81-2
• SMILES: [C@H]45C([C@@H](OC(=O)C12CC3CC(C1)CC(C2)C3)CC4)(CC[C@H]6C5CCC7=CC(=O)CCC67)C
• InChI: 1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22?,23-,24?,25+,26+,28?,29?/m1/s1
• InChIKey: NCXAMLZZPQRJGY-UBVRKXONSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 559.407°C at 760 mmHg (Cal.)
• Flash point: 238.394°C (Cal.)