4-Acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate
[CAS# 94135-06-5]

Identification

• Name: 4-Acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate
• Synonyms: 4,17-dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate
• Molecular Formula: C₂₉H₄₂O₆
• Molecular Weight: 486.64
• CAS Registry Number: 94135-06-5
• EINECS: 302-874-1
• SMILES: CC(=O)OC3=C4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(OC(=O)CCCCC)C(C)=O)[C@@]4(C)CCC3=O
• InChI: 1S/C29H42O6/c1-6-7-8-9-25(33)35-29(18(2)30)17-13-22-20-10-11-23-26(34-19(3)31)24(32)14-15-27(23,4)21(20)12-16-28(22,29)5/h20-22H,6-17H2,1-5H3/t20-,21+,22+,27-,28+,29+/m1/s1
• InChIKey: WRZVFSQVZDEDIK-NTLFILIOSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 594.652°C at 760 mmHg (Cal.)
• Flash point: 250.112°C (Cal.)