[(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-2-Yl] Benzoate
[CAS# 79787-03-4]

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-2-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-2-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-2-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-2-Yl] Benzoate
• Molecular Formula: C₃₂H₃₂O₅
• Molecular Weight: 496.60
• CAS Registry Number: 79787-03-4
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C5=C(CC3)C=C(OC(=O)C4=CC=CC=C4)C(=C5)OC(=O)C6=CC=CC=C6)C
• InChI: 1S/C32H32O5/c1-32-17-16-23-24(26(32)14-15-29(32)33)13-12-22-18-27(36-30(34)20-8-4-2-5-9-20)28(19-25(22)23)37-31(35)21-10-6-3-7-11-21/h2-11,18-19,23-24,26,29,33H,12-17H2,1H3/t23-,24+,26-,29-,32-/m0/s1
• InChIKey: NOVIXZLQPTUFMC-VAXYPKBCSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 668.145°C at 760 mmHg (Cal.)
• Flash point: 218.07°C (Cal.)