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Reference substances

Reference substances

IUPAC name:
2-[(3aS,3bS,9aS,11aS)-9a,11a-dimethyl-7-oxo-3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

Inventory

EC number:
245-674-9
EC name:
21-hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate
CAS number:
23460-76-6
CAS number:
23460-76-6
Synonyms
Names:
21-hydroxypregna-4,9(11),16-triene-3,20-dione_21-acetate
3,20-dioxopregna-4,9(11),16-trien-21-yl acetate

Molecular and structural information

Molecular formula:
C23H28O4
Molecular weight:
368.466
SMILES notation:
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
InChl:
InChI=1/C23H28O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7,9,12,17-18H,4-6,8,10-11,13H2,1-3H3
Structural formula:
Chemical structure

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