(3S,8S,9R ,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl sulfateis

• CAT Number: M049920
• CAS Number: 1247-64-9
• Molecular Formula: C21H32O5S
• Molecular Weight: 396.54
• Purity: ≥95%
• Synonyms: pregnenolone sulfate;Pregnenolone monosulfate
• Storage: -20°C
• IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• InChI: InChI=1S/C21H32O5S/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)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N
• SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C

(3S,8S,9R ,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl sulfateis（Cat No.:M049920）a steroid sulfate derivative, often involved in biochemical research focused on steroid metabolism and signaling. Its structure includes a sulfooxy group, which plays a role in its metabolism and excretion. This compound is utilized in studies exploring the synthesis, function, and metabolic pathways of steroid hormones, contributing to a deeper understanding of steroid regulation in various physiological processes, including endocrine and reproductive functions. Its applications also extend to the study of steroid-related diseases.

Reference

1.Vallée, Monique, et al. "Pregnenolone can protect the brain from cannabis intoxication." Science 343.6166 (2014): 94-98.
2.Ducharme, Nicole, et al. "Brain distribution and behavioral effects of progesterone and pregnenolone after intranasal or intravenous administration." European journal of pharmacology 641.2-3 (2010): 128-134.