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General information

Inventory

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Reference substance information

Synonyms
Names:
(11β)-11,21-Bis(acetyloxy)pregna-1,4,16-triene-3,20-dione
11β,21-Diacetoxypregna-1,4,16-triene-3,20-dione
Identifier:
IUPAC name
[2-[(8S,9S,10R,11S,13S,14S)-11-acetyloxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-[10-(acetyloxy)-9a,11a-dimethyl-7-oxo-3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

CAS information

CAS number:
23825-05-0

Molecular and structural information

Molecular formula:
C25H30O6
Molecular weight:
426.5
SMILES notation:
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
Isomeric SMILES: CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)OC(=O)C)C
InChl:
InChI=1S/C25H30O6/c1-14(26)30-13-21(29)20-8-7-19-18-6-5-16-11-17(28)9-10-24(16,3)23(18)22(31-15(2)27)12-25(19,20)4/h8-11,18-19,22-23H,5-7,12-13H2,1-4H3
Structural formula:
Chemical structure