[(8S,9S,10R,13S,14S,17R)-17-(2,2-Dihydroxyacetyl)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Benzoate
[CAS# 130399-79-0]

Identification

• Name: [(8S,9S,10R,13S,14S,17R)-17-(2,2-Dihydroxyacetyl)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Benzoate
• Synonyms: Benzoic Acid [(8S,9S,10R,13S,14S,17R)-17-(2,2-Dihydroxy-1-Oxoethyl)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Benzoic Acid [(8S,9S,10R,13S,14S,17R)-17-(2,2-Dihydroxyacetyl)-11-Hydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9S,10R,13S,14S,17R)-17-(2,2-Dihydroxyethanoyl)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Benzoate
• Molecular Formula: C₂₈H₃₂O₇
• Molecular Weight: 480.56
• CAS Registry Number: 130399-79-0
• SMILES: [C@H]35[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)C(O)C[C@@]3([C@](OC(=O)C4=CC=CC=C4)(CC5)C(=O)C(O)O)C
• InChI: 1S/C28H32O7/c1-26-12-10-18(29)14-17(26)8-9-19-20-11-13-28(23(31)24(32)33,27(20,2)15-21(30)22(19)26)35-25(34)16-6-4-3-5-7-16/h3-7,10,12,14,19-22,24,30,32-33H,8-9,11,13,15H2,1-2H3/t19-,20-,21?,22+,26-,27-,28-/m0/s1
• InChIKey: WOTRZIGJOBXZSH-ZELPCQGESA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 655.418°C at 760 mmHg (Cal.)
• Flash point: 217.216°C (Cal.)