Pregn-4-ene-3,11,20-trione,17-hydroxy-21-(sulfooxy)-, sodium salt (1:1)

Modify Date: 2025-11-28 11:13:20

Pregn-4-ene-3,11,20-trione,17-hydroxy-21-(sulfooxy)-, sodium salt (1:1) Structure
Pregn-4-ene-3,11,20-trione,17-hydroxy-21-(sulfooxy)-, sodium salt (1:1) structure
Common Name Pregn-4-ene-3,11,20-trione,17-hydroxy-21-(sulfooxy)-, sodium salt (1:1)
CAS Number 2681-67-6 Molecular Weight 463.49700
Density 1.44g/cm3 Boiling Point N/A
Molecular Formula C21H28NaO8S+ Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name sodium,[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate

 Chemical & Physical Properties

Density 1.44g/cm3
Molecular Formula C21H28NaO8S+
Molecular Weight 463.49700
Exact Mass 463.14000
PSA 143.42000
LogP 2.89770
InChIKey CKCQAVLXEMPVTM-HNGAPHHWSA-M
SMILES CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)COS(=O)(=O)[O-].[Na+]
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