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(Q82945860)
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English
1-Methoxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ol
group of stereoisomers with the chemical formula C₂₀H₂₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
300.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc2c(c1C)CCC1C2CCC2(C)C(O)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1ccc2c(c1C)CCC1C2CCC2(C)C1CC[C@@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O2/c1-12-13-4-5-16-15(14(13)6-8-18(12)22-3)10-11-20(2)17(16)7-9-19(20)21/h6,8,15-17,19,21H,4-5,7,9-11H2,1-3H3/t15?,16?,17?,19-,20?/m0/s1
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InChIKey
NGINMLINNBUIBK-DRZUXFPHSA-N
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CAS Registry Number
4787-75-1
0 references
PubChem CID
20918
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43365936
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50963954
0 references
DSSTOX compound identifier
DTXCID901391677
0 references
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