3-{[(7alpha,8xi,9xi,14xi)-21-Hydroxy-3,20-Dioxopregn-4-En-7-Yl]Sulfanyl}Propanoic Acid
[CAS# 121748-46-7]

Identification

• Name: 3-{[(7alpha,8xi,9xi,14xi)-21-Hydroxy-3,20-Dioxopregn-4-En-7-Yl]Sulfanyl}Propanoic Acid
• Synonyms: 7-Mercaptopropionyldeoxycorticosterone; 7-MP-Doc; Deoxycorticosterone-7-mercaptopropionic acid
• Molecular Formula: C₂₄H₃₄O₅S
• Molecular Weight: 434.59
• CAS Registry Number: 121748-46-7
• SMILES: O=C(CO)[C@@H]4[C@]3(CCC2[C@@]1(/C(=C\C(=O)CC1)C[C@@H](SCCC(=O)O)C2C3CC4)C)C
• InChI: 1S/C24H34O5S/c1-23-8-5-15(26)11-14(23)12-20(30-10-7-21(28)29)22-17-4-3-16(19(27)13-25)24(17,2)9-6-18(22)23/h11,16-18,20,22,25H,3-10,12-13H2,1-2H3,(H,28,29)/t16-,17?,18?,20-,22?,23+,24-/m1/s1
• InChIKey: ZHFOMNGXYBGRRA-WMCNZFQOSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 638.036°C at 760 mmHg (Cal.)
• Flash point: 339.672°C (Cal.)
• Refractive index: 1.591 (Cal.)