(3beta,9xi,12beta,14beta,17alpha)-3,8,14-Trihydroxy-20-Oxopregn-5-En-12-Yl (2E)-3,4-Dimethyl-2-Pentenoate
[CAS# 6870-10-6]

Identification

• Name: (3beta,9xi,12beta,14beta,17alpha)-3,8,14-Trihydroxy-20-Oxopregn-5-En-12-Yl (2E)-3,4-Dimethyl-2-Pentenoate
• Molecular Formula: C₂₈H₄₂O₆
• Molecular Weight: 474.63
• CAS Registry Number: 6870-10-6
• SMILES: CC(C)C(/C)=C/C(=O)O[C@@H]2CC1[C@@]4(C)CC[C@H](O)C\C4=C\C[C@@]1(O)[C@@]3(O)CC[C@@H](C(C)=O)[C@@]23C
• InChI: 1S/C28H42O6/c1-16(2)17(3)13-24(31)34-23-15-22-25(5)10-8-20(30)14-19(25)7-11-27(22,32)28(33)12-9-21(18(4)29)26(23,28)6/h7,13,16,20-23,30,32-33H,8-12,14-15H2,1-6H3/b17-13+/t20-,21-,22?,23+,25-,26-,27-,28+/m0/s1
• InChIKey: SZUXICHIYZJLOY-MLEXYWGQSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 588.522°C at 760 mmHg (Cal.)
• Flash point: 187.01°C (Cal.)