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(Q82969465)
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English
14-Ethylcholest-7-ene-3,15-diol
group of stereoisomers with the chemical formula C₂₉H₅₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
430.38108084
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₅₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC12C3=CCC4CC(O)CCC4(C)C3CCC1(C)C(C(C)CCCC(C)C)CC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC12C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)C[C@@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H50O2/c1-7-29-24-12-11-21-17-22(30)13-15-27(21,5)23(24)14-16-28(29,6)25(18-26(29)31)20(4)10-8-9-19(2)3/h12,19-23,25-26,30-31H,7-11,13-18H2,1-6H3/t20-,21+,22+,23+,25-,26+,27+,28-,29?/m1/s1
0 references
InChIKey
QGLIKDSBWIUDFT-JPFRARASSA-N
0 references
CAS Registry Number
64153-52-2
0 references
PubChem CID
194180
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68786295
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40982654
0 references
DSSTOX compound identifier
DTXCID401409914
0 references
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