(16?)-21-(Acetyloxy)-2?-methyl-5?H-pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H29NO6
Molecular Weight	439.5009
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (16?)-21-(Acetyloxy)-2?-methyl-5?H-pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4C(=O)C[C@]23C

InChI

InChIKey=VJUGFCDBNUADOZ-NEFXMTTNSA-N

InChI=1S/C25H29NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-18,21-22H,5-6,10-12H2,1-4H3/t17-,18-,21+,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H29NO6
Molecular Weight	439.5009
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:21:12 GMT 2025` Edited by `admin` on `Wed Apr 02 20:21:12 GMT 2025`
Record UNII	7WCA3Z2SCX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(16?)-21-(Acetyloxy)-2?-methyl-5?H-pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione

Common Name

English

5?H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione, 21-(acetyloxy)-2?-methyl-, (16?)-

Preferred Name

English

2-Oxo-2-[(1S,2S,4R,8S,9S,12S,13R)-6,9,13-trimethyl-11,16-dioxo-5-oxa-7-azapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,14,17-trien-8-yl]ethyl acetate

Systematic Name

English

5??H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione, 21-hydroxy-2?-methyl-, acetate (ester)

Common Name

English

Code System Code Type Description

CAS

13649-84-8

Created by admin on Wed Apr 02 20:21:12 GMT 2025 , Edited by admin on Wed Apr 02 20:21:12 GMT 2025

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FDA UNII

7WCA3Z2SCX

Created by admin on Wed Apr 02 20:21:12 GMT 2025 , Edited by admin on Wed Apr 02 20:21:12 GMT 2025

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PUBCHEM

139025719

Created by admin on Wed Apr 02 20:21:12 GMT 2025 , Edited by admin on Wed Apr 02 20:21:12 GMT 2025

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