[(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-4-Yl] Benzoate
[CAS# 79795-26-9]

Identification

• Name: [(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-4-Yl] Benzoate
• Synonyms: Benzoic Acid [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-3-(Oxo-Phenylmethoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl] Ester; Benzoic Acid [(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl] Ester; [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-3-Phenylcarbonyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl] Benzoate
• Molecular Formula: C₃₂H₃₂O₅
• Molecular Weight: 496.60
• CAS Registry Number: 79795-26-9
• SMILES: [C@@H]23C1=CC=C(C(=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)OC(C5=CC=CC=C5)=O)OC(C6=CC=CC=C6)=O
• InChI: 1S/C32H32O5/c1-32-19-18-23-22-14-16-27(36-30(34)20-8-4-2-5-9-20)29(37-31(35)21-10-6-3-7-11-21)25(22)13-12-24(23)26(32)15-17-28(32)33/h2-11,14,16,23-24,26,28,33H,12-13,15,17-19H2,1H3/t23-,24-,26+,28+,32+/m1/s1
• InChIKey: QDVOPEJPVDIRMO-IZUDCGBRSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 697.147°C at 760 mmHg (Cal.)
• Flash point: 228.967°C (Cal.)