(8xi,9xi,14xi)-17-Hydroxy-21-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)pregn-4-ene-3,20-dione
[CAS# 87536-00-3]

Identification

• Name: (8xi,9xi,14xi)-17-Hydroxy-21-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)pregn-4-ene-3,20-dione
• Synonyms: 2,4(1H,3H)-Pyrimidinedione, 1-(17-hydroxy-3,20-dioxopregn-4-en-21-yl)-5-methyl-; Thymine-hydroxyprogesterone
• Molecular Formula: C₂₆H₃₄N₂O₅
• Molecular Weight: 454.56
• CAS Registry Number: 87536-00-3
• SMILES: O=C(CN1/C=C(\C(=O)NC1=O)C)[C@@]4(O)CCC3C5CCC\2=C\C(=O)CC[C@]/2(C)C5CC[C@@]34C
• InChI: 1S/C26H34N2O5/c1-15-13-28(23(32)27-22(15)31)14-21(30)26(33)11-8-20-18-5-4-16-12-17(29)6-9-24(16,2)19(18)7-10-25(20,26)3/h12-13,18-20,33H,4-11,14H2,1-3H3,(H,27,31,32)/t18?,19?,20?,24-,25-,26-/m0/s1
• InChIKey: YDADFCILNDYADF-QFEBIQKESA-N

Properties

• Density: 1.304g/cm³ (Cal.)