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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-oxo-2-[(1S,3S,5S,6S,10R,12S,13S,21S)-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.0¹,³.0⁵,¹².0⁶,¹⁰.0¹⁶,²¹]henicosa-16,19-dien-6-yl]ethyl acetate

Inventory

CAS number:
25092-32-4
Synonyms
Names:
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]-, (9β,11β,16α)-
Identifier:
IUPAC name
2-oxo-2-[(1S,3S,5S,6S,10R,12S,13S,21S)-5,8,8,21- tetramethyl-18-oxo-2,7,9- trioxahexacyclo[11.8.0.0^{1,3}.0^{5,12}.0^{6,10}.0^{16,21}]henicosa- 16,19-dien-6-yl]ethyl acetate
Identifier:
other:
9β,11β-Epoxy-16α,17α-21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate cyclic 16,17-acetonide
Identifier:
other: Regulatory process names
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]-, (9β,11β,16α)-
Identifier:
other: SMILES notation
[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]44O[C@H]4C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O
(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione, 21-acetate, 16,17-acetonide

Molecular and structural information

Molecular formula:
C26H32O7
Molecular weight:
456.53
SMILES notation:
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]21C
InChl:
InChI=1/C26H32O7/c1-14(27)30-13-19(29)26-20(31-22(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-23(15,4)25(17)21(32-25)12-24(18,26)5/h8-10,17-18,20-21H,6-7,11-13H2,1-5H3/t17-,18-,20+,21-,23-,24-,25+,26+/m0/s1
Structural formula:
Chemical structure

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