(3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl) Benzoate
[CAS# 1175-12-8]

Identification

• Name: (3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl) Benzoate
• Synonyms: Benzoic Acid (3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ester; 5-Androstene-3.Beta.,17.Beta.-Diol 17-Benzoate; Androst-5-Ene-3,17-Diol, 17-Benzoate, (3.Beta.,17.Beta.)-
• Molecular Formula: C₂₆H₃₄O₃
• Molecular Weight: 394.55
• CAS Registry Number: 1175-12-8
• EINECS: 214-641-0
• SMILES: C5=C(C(OC4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)=O)C=CC=C5
• InChI: 1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3
• InChIKey: BGSWILYBWIQYKQ-UHFFFAOYSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 518.646°C at 760 mmHg (Cal.)
• Flash point: 201.683°C (Cal.)