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English
Estrane-3,17-diol
group of stereoisomers with the chemical formula C₁₈H₃₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
278.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3C4CCC(O)CC4CCC3C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@@H](CCC4C[C@H](O)CC[C@@H]43)[C@@H]1CC[C@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11?,12-,13+,14-,15-,16+,17-,18+/m1/s1
0 references
InChIKey
QNKATSBSLLYTMH-BVVZXGIMSA-N
0 references
CAS Registry Number
517-01-1
0 references
PubChem CID
6452484
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56335103
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40965967
0 references
DSSTOX compound identifier
DTXCID501393621
0 references
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