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Structure

16-Keto-17beta-estradiol

CAS
566-75-6
Catalog Number
ACM566756
Category
Other Products
Molecular Weight
286.37
Molecular Formula
C18H22O3

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Specification

Synonyms
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-16-ONE;16-KETOESTRADIOL;16-KETO-17-BETA-ESTRADIOL;3,17-beta-dihydroxyoestra-1,3,5(10)-trien-16-one;3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one;(17)-3,17-Dihydroxyestra-1,3
IUPAC Name
(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
Canonical SMILES
CC12CCC3C(C1CC(=O)C2O)CCC4=C3C=CC(=C4)O
InChI Key
KJDGFQJCHFJTRH-YONAWACDSA-N
Boiling Point
493.2ºC at 760 mmHg
Flash Point
266.2ºC
Density
1.249 g/cm³
Exact Mass
286.15700
H-Bond Acceptor
3
H-Bond Donor
2
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