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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O7
Molecular Weight 448.5491
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (11.BETA.,20R)-

SMILES

[H][C@@]12CC[C@](O)([C@@H](COC(C)=O)OC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=CKVHJZLCOPFWFB-TVWUHQBQSA-N
InChI=1S/C25H36O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-22,29-30H,5-10,12-13H2,1-4H3/t18-,19-,20-,21+,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (11.BETA.,20R)-
Common Name English
PREGN-4-EN-3-ONE, 20,21-BIS(ACETYLOXY)-11,17-DIHYDROXY-, (11.BETA.,20R)-
Systematic Name English
4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE 20,21-DIACETATE [MI]
Common Name English
4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE 20,21-DIACETATE
MI  
Common Name English
Code System Code Type Description
CAS
6190-51-8
Created by admin on Sat Dec 16 07:53:07 GMT 2023 , Edited by admin on Sat Dec 16 07:53:07 GMT 2023
PRIMARY
FDA UNII
QD1XLV75PI
Created by admin on Sat Dec 16 07:53:07 GMT 2023 , Edited by admin on Sat Dec 16 07:53:07 GMT 2023
PRIMARY
PUBCHEM
72710633
Created by admin on Sat Dec 16 07:53:07 GMT 2023 , Edited by admin on Sat Dec 16 07:53:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID50977455
Created by admin on Sat Dec 16 07:53:07 GMT 2023 , Edited by admin on Sat Dec 16 07:53:07 GMT 2023
PRIMARY
MERCK INDEX
m9118
Created by admin on Sat Dec 16 07:53:07 GMT 2023 , Edited by admin on Sat Dec 16 07:53:07 GMT 2023
PRIMARY Merck Index