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Reference substances

Reference substances

IUPAC name:
(3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Inventory

EC number:
213-558-7
EC name:
20-oxopregna-5,16-dien-3-β-yl acetate
CAS number:
979-02-2
CAS number:
979-02-2
Synonyms
Names:
Identifier:
IUPAC name
20-oxopregna-5,16-dien-3-β-yl acetate
20-oxopregna-5,16-dien-3-yl acetate

Molecular and structural information

Molecular formula:
C23H32O3
Molecular weight:
356.498
SMILES notation:
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1
InChl:
InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3
Structural formula:
Chemical structure

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