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(Q82747198)
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English
(20S)-cholestane
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
372.375601536
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₇H₄₈
0 references
canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
0 references
isomeric SMILES
C[C@@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C
0 references
Identifiers
InChI
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22-,23+,24-,25-,26-,27+/m0/s1
0 references
InChIKey
XIIAYQZJNBULGD-XMUXRCGESA-N
0 references
CAS Registry Number
25269-18-5
0 references
PubChem CID
71358742
0 references
UniChem compound ID
34433611
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70782700
0 references
DSSTOX compound identifier
DTXCID60733443
0 references
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