16α-Hydroxyprednisolone acetate

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

Structure Search

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

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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

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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

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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