Methyl N-(4-{[(8xi,9xi,11alpha,14xi)-3,20-Dioxopregn-4-En-11-Yl]Oxy}-4-Oxobutanoyl)-L-Tyrosinate
[CAS# 110988-78-8]

Identification

• Name: Methyl N-(4-{[(8xi,9xi,11alpha,14xi)-3,20-Dioxopregn-4-En-11-Yl]Oxy}-4-Oxobutanoyl)-L-Tyrosinate
• Synonyms: 11-Ptme; Progesterone 11-succinyltyrosine methyl ester
• Molecular Formula: C₃₅H₄₅NO₈
• Molecular Weight: 607.73
• CAS Registry Number: 110988-78-8
• SMILES: O=C(OC)[C@@H](NC(=O)CCC(=O)O[C@@H]1C[C@@]4([C@@H](C(=O)C)CCC4C3C1[C@@]2(/C(=C\C(=O)CC2)CC3)C)C)Cc5ccc(O)cc5
• InChI: 1S/C35H45NO8/c1-20(37)26-11-12-27-25-10-7-22-18-24(39)15-16-34(22,2)32(25)29(19-35(26,27)3)44-31(41)14-13-30(40)36-28(33(42)43-4)17-21-5-8-23(38)9-6-21/h5-6,8-9,18,25-29,32,38H,7,10-17,19H2,1-4H3,(H,36,40)/t25?,26-,27?,28+,29-,32?,34+,35-/m1/s1
• InChIKey: IHMMGUGHXAYMNJ-BMALQOLZSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 788.393°C at 760 mmHg (Cal.)
• Flash point: 430.605°C (Cal.)
• Refractive index: 1.583 (Cal.)