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(Q104985822)
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English
(8S,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
estrane steroid
0 references
mass
270.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8alpha-3beta-hydroxy-estra-1,3,5(10)-trien-17-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-estrone
1 reference
based on heuristic
inferred from InChI
estrone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂O₂
0 references
canonical SMILES
O=C1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C
0 references
isomeric SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O
0 references
found in taxon
Hyphaene thebaica
1 reference
stated in
Estrone in Hyphaene thebaica kernel and pollen grains
Olea europaea
1 reference
stated in
Estrone in Olea europaea kernel
Prunus armeniaca
1 reference
stated in
Steroidal estrogens of Prunus armeniaca seeds
Identifiers
InChI
InChI=1S/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/t14-,15+,16-,18+/m1/s1
0 references
InChIKey
DNXHEGUUPJUMQT-HPFXQQBRSA-N
0 references
PubChem CID
670995
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DNXHEGUUPJUMQT-HPFXQQBRSA-N
UniChem compound ID
61043116
1 reference
stated in
UniChem
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