(3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid
[CAS# 51424-66-9]

Identification

• Name: (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid
• Synonyms: (3S,8S,9S,10R,13S,14S)-3-Acetoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-17-Carboxylic Acid; (3Beta)-3-Acetoxyandrost-5-Ene-17-Carboxylic Acid
• Molecular Formula: C₂₂H₃₂O₄
• Molecular Weight: 360.49
• CAS Registry Number: 51424-66-9
• EINECS: 257-197-3
• SMILES: [C@H]23[C@H]1[C@@](C(CC1)C(=O)O)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](OC(=O)C)CC4)C)C
• InChI: 1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15-,16-,17-,18-,19?,21-,22-/m0/s1
• InChIKey: WVHKCBDRQIXZLC-CMGWBOTJSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 483.761°C at 760 mmHg (Cal.)
• Flash point: 162.683°C (Cal.)