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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36O7
Molecular Weight	460.5598
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXYPREGNA-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([H])[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=JJCMNPASNQSMEE-SBOGIFMKSA-N

InChI=1S/C26H36O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h10,17-19,21-22,29H,6-9,11-13H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H36O7
Molecular Weight	460.5598
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:26:42 GMT 2023` Edited by `admin` on `Fri Dec 15 15:26:42 GMT 2023`
Record UNII	5FP3UA652T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50947956