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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O7
Molecular Weight 418.4801
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16α-Hydroxyprednisolone acetate

SMILES

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

InChI

InChIKey=AAMGSJIEPUHTOK-GIMXSRRZSA-N
InChI=1S/C23H30O7/c1-12(24)30-11-19(28)23(29)18(27)9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,23)3/h6-8,15-18,20,26-27,29H,4-5,9-11H2,1-3H3/t15-,16-,17-,18+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H30O7
Molecular Weight 418.4801
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:58 GMT 2023
Record UNII
88KM33LDC2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16α-Hydroxyprednisolone acetate
Systematic Name English
2-Oxo-2-((8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
Systematic Name English
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,16,17-trihydroxy-, (11β,16α)-
Systematic Name English
(11β,16α)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4-diene-3,20-dione
Systematic Name English
16-Hydroxyprednisolone 21-acetate
Systematic Name English
Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-, 21-acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
13190223
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY
CAS
86401-80-1
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY
FDA UNII
88KM33LDC2
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY