(3beta)-20-Oxopregn-5-en-3-yl (9Z)-9-octadecenoate
[CAS# 72205-39-1]

Identification

• Name: (3beta)-20-Oxopregn-5-en-3-yl (9Z)-9-octadecenoate
• Synonyms: pregnenolone oleate
• Molecular Formula: C₃₉H₆₄O₃
• Molecular Weight: 580.92
• CAS Registry Number: 72205-39-1
• SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H]3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)C(C)=O)[C@@]4(C)CC3
• InChI: 1S/C39H64O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(41)42-32-25-27-38(3)31(29-32)21-22-33-35-24-23-34(30(2)40)39(35,4)28-26-36(33)38/h12-13,21,32-36H,5-11,14-20,22-29H2,1-4H3/b13-12-/t32-,33-,34+,35-,36-,38-,39+/m0/s1
• InChIKey: NYLBKILFDPZTOR-KUXMSGHYSA-N

Properties

• Density: 1.003g/cm³ (Cal.)
• Boiling point: 641.989°C at 760 mmHg (Cal.)
• Flash point: 258.883°C (Cal.)