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Reference substances

Reference substances

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General information

Inventory

EC number:
200-164-5
EC name:
Estrone
CAS number:
53-16-7

No inventory information available

Reference substance information

IUPAC name:
3-hydroxyestra-1,3,5(10)-trien-17-one
Synonyms
Names:
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-

CAS information

CAS number:
53-16-7

Molecular and structural information

Molecular formula:
C18H22O2
Molecular weight:
270.366
SMILES notation:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
InChl:
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
Structural formula:
Chemical structure