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(Q82947384)
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English
22-Aminocholest-5-en-3-ol
group of stereoisomers with the chemical formula C₂₇H₄₇NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
401.365765124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₇NO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCC(N)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)CCC(N)[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H47NO/c1-17(2)6-11-25(28)18(3)22-9-10-23-21-8-7-19-16-20(29)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,29H,6,8-16,28H2,1-5H3/t18-,20-,21-,22?,23-,24-,25?,26-,27+/m0/s1
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InChIKey
AGRHLODVOQJVIA-FCHFFHBUSA-N
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CAS Registry Number
50921-65-8
0 references
PubChem CID
170937
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55780998
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80965204
0 references
DSSTOX compound identifier
DTXCID001392878
0 references
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