U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 ALLOTETRAHYDROCORTISONE 3.ALPHA.,21-DIACETATE

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=PXQRJZNDFRAFTF-JIVQMKSVSA-N
InChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17+,18-,19-,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOTETRAHYDROCORTISONE 3.ALPHA.,21-DIACETATE
MI  
Common Name English
5.ALPHA.-PREGNANE-11,20-DIONE, 3.ALPHA.,17,21-TRIHYDROXY-, 3,21-DIACETATE
Systematic Name English
ALLOTETRAHYDROCORTISONE 3.ALPHA.,21-DIACETATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m1005
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY Merck Index
FDA UNII
9UM9N5LD5T
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
CAS
4047-39-6
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
PUBCHEM
72941458
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY