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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36O6
Molecular Weight 444.5604
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-17.ALPHA.-ISOPROPYLIDENEDIOXY-4-PREGNEN-21-OL-3,20-DIONE 21-ACETATE

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=UJUXTIHDKDJBLG-IMNLCBETSA-N
InChI=1S/C26H36O6/c1-15(27)30-14-21(29)26-22(31-23(2,3)32-26)13-20-18-7-6-16-12-17(28)8-10-24(16,4)19(18)9-11-25(20,26)5/h12,18-20,22H,6-11,13-14H2,1-5H3/t18-,19+,20+,22-,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.ALPHA.-17.ALPHA.-ISOPROPYLIDENEDIOXY-4-PREGNEN-21-OL-3,20-DIONE 21-ACETATE
Common Name English
CORTICOSTERONE, 11-DEOXY-16.ALPHA.,17-DIHYDROXY-, 21-ACETATE, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (16.ALPHA.)-
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
70K4I0I12Y
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
CAS
5095-00-1
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
PUBCHEM
91667940
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY