Sodium (3beta,8xi,9xi,14xi)-20-Oxopregn-5-En-3-Yl Sulfate
[CAS# 1852-38-6]

Identification

• Name: Sodium (3beta,8xi,9xi,14xi)-20-Oxopregn-5-En-3-Yl Sulfate
• Synonyms: 5-pregnen-3β-ol-20-one sulfate; 5-Pregnen-3β-ol-20-one sulfate sodium; Pregnenolone sulfate sodium
• Molecular Formula: C₂₁H₃₁NaO₅S
• Molecular Weight: 418.52
• CAS Registry Number: 1852-38-6
• SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]
• InChI: 1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16?,17+,18?,19?,20-,21+;/m0./s1
• InChIKey: QQVJEIZJHDPTSH-SLWMDVAGSA-M

Properties

• Refractive index: (Cal.)