9-ACETAMIDO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39NO8
Molecular Weight	517.6112
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-ACETAMIDO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Structure Search

SMILES

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

InChI

InChIKey=XZPOTFSHMXGHOX-OBTMRLKESA-N

InChI=1S/C28H39NO8/c1-15(30)29-27-19(8-7-17-11-18(32)9-10-25(17,27)5)20-12-23-28(37-24(3,4)36-23,22(34)14-35-16(2)31)26(20,6)13-21(27)33/h11,19-21,23,33H,7-10,12-14H2,1-6H3,(H,29,30)/t19-,20-,21-,23+,25-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO8
Molecular Weight	517.6112
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 `Fri Dec 15 15:09:39 GMT 2023` Edited by `admin` on `Fri Dec 15 15:09:39 GMT 2023`
Record UNII	614DX3ICEW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-ACETAMIDO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Common Name

English

ACETAMIDE, N-((11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-3,20-DIOXOPREGN-4-EN-9-YL)-

Common Name

English

Code System Code Type Description

FDA UNII

614DX3ICEW

Created by admin on Fri Dec 15 15:09:39 GMT 2023 , Edited by admin on Fri Dec 15 15:09:39 GMT 2023

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PUBCHEM

91810520

Created by admin on Fri Dec 15 15:09:40 GMT 2023 , Edited by admin on Fri Dec 15 15:09:40 GMT 2023

PRIMARY

CAS

52091-94-8

Created by admin on Fri Dec 15 15:09:39 GMT 2023 , Edited by admin on Fri Dec 15 15:09:39 GMT 2023

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