11,17-Dihydroxy-17-methyl-3-oxo-androsta-1,4-diene-2-carboxylic acid, decyl ester
[CAS# 60023-91-8]

Identification

• Name: 11,17-Dihydroxy-17-methyl-3-oxo-androsta-1,4-diene-2-carboxylic acid, decyl ester
• Synonyms: (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13,17-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-2-Carboxylic Acid Decyl Ester; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13,17-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-2-Carboxylic Acid Decyl Ester; 11,17-Dihydroxy-17-Methyl-3-Oxo-Androsta-1,4-Diene-2-Carboxylic Acid, Decyl Ester
• Molecular Formula: C₃₁H₄₈O₅
• Molecular Weight: 500.72
• CAS Registry Number: 60023-91-8
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C(=C1)C(OCCCCCCCCCC)=O)CC2)C)[C@@H](O)C[C@]4([C@H]3CC[C@]4(O)C)C
• InChI: 1S/C31H48O5/c1-5-6-7-8-9-10-11-12-17-36-28(34)23-19-29(2)21(18-25(23)32)13-14-22-24-15-16-31(4,35)30(24,3)20-26(33)27(22)29/h18-19,22,24,26-27,33,35H,5-17,20H2,1-4H3/t22-,24-,26-,27+,29-,30-,31+/m0/s1
• InChIKey: QAXZEBWVHGLRCX-JWHDWHCNSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 628.92°C at 760 mmHg (Cal.)
• Flash point: 196.132°C (Cal.)