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Details

Stereochemistry UNKNOWN
Molecular Formula C23H37O5P
Molecular Weight 424.5106
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3.BETA.-HYDROXY-20-OXOPREGN-5-EN-16-YL)PHOSPHONIC ACID MONOETHYL ESTER

SMILES

CCOP(O)(=O)C1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O

InChI

InChIKey=YTHYJGZYFUJIFJ-NIPOZLBPSA-N
InChI=1S/C23H37O5P/c1-5-28-29(26,27)20-13-19-17-7-6-15-12-16(25)8-10-22(15,3)18(17)9-11-23(19,4)21(20)14(2)24/h6,16-21,25H,5,7-13H2,1-4H3,(H,26,27)/t16-,17+,18-,19-,20?,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3.BETA.-HYDROXY-20-OXOPREGN-5-EN-16-YL)PHOSPHONIC ACID MONOETHYL ESTER
Systematic Name English
NSC-82771
Preferred Name English
PREGN-5-EN-20-ONE, 3.BETA.-HYDROXY-16-PHOSPHONO-, MONOETHYL ESTER
Common Name English
PHOSPHONIC ACID, (3.BETA.-HYDROXY-20-OXOPREGN-5-EN-16-YL)-, MONOETHYL ESTER
Common Name English
Code System Code Type Description
CAS
14413-03-7
Created by admin on Mon Mar 31 21:27:45 GMT 2025 , Edited by admin on Mon Mar 31 21:27:45 GMT 2025
PRIMARY
FDA UNII
J0M6J777WB
Created by admin on Mon Mar 31 21:27:45 GMT 2025 , Edited by admin on Mon Mar 31 21:27:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID00932236
Created by admin on Mon Mar 31 21:27:45 GMT 2025 , Edited by admin on Mon Mar 31 21:27:45 GMT 2025
PRIMARY
PUBCHEM
11954114
Created by admin on Mon Mar 31 21:27:45 GMT 2025 , Edited by admin on Mon Mar 31 21:27:45 GMT 2025
PRIMARY
NSC
82771
Created by admin on Mon Mar 31 21:27:45 GMT 2025 , Edited by admin on Mon Mar 31 21:27:45 GMT 2025
PRIMARY