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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O6
Molecular Weight 432.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYDIONE HYDROGEN SUCCINATE

SMILES

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

InChI

InChIKey=KLRNMIUKAXHHFS-ZILYODKUSA-N
InChI=1S/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)/t15-,17+,18+,19+,20-,24+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HYDROXYDIONE HYDROGEN SUCCINATE
Common Name English
5.BETA.-PREGNANE-3,20-DIONE, 21-HYDROXY-, HYDROGEN SUCCINATE
Common Name English
PREGNANE-3,20-DIONE, 21-(3-CARBOXY-1-OXOPROPOXY)-, (5.BETA.)-
Systematic Name English
5.BETA.-PREGNANE-3,20-DIONE, 21-HYDROXY-, SUCCINATE
Common Name English
21-HYDROXY-5.BETA.-PREGNANE-3,20-DIONE SUCCINATE
Common Name English
4-(2-((5R,8R,9S,10S,13S,14S,17S)-10,13-DIMETHYL-3-OXO-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)-2-OXO-ETHOXY)-4-OXO-BUTANOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
5869
Created by admin on Sat Dec 16 07:16:07 UTC 2023 , Edited by admin on Sat Dec 16 07:16:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID00861577
Created by admin on Sat Dec 16 07:16:07 UTC 2023 , Edited by admin on Sat Dec 16 07:16:07 UTC 2023
PRIMARY
FDA UNII
6LJJ67GNMV
Created by admin on Sat Dec 16 07:16:07 UTC 2023 , Edited by admin on Sat Dec 16 07:16:07 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-314-2
Created by admin on Sat Dec 16 07:16:07 UTC 2023 , Edited by admin on Sat Dec 16 07:16:07 UTC 2023
PRIMARY
CAS
80-96-6
Created by admin on Sat Dec 16 07:16:07 UTC 2023 , Edited by admin on Sat Dec 16 07:16:07 UTC 2023
PRIMARY