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(Q82885195)
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English
3-Hydroxy-7-methylcholan-24-oic acid
group of stereoisomers with the chemical formula C₂₅H₄₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
390.31339520399996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₄₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CC2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(=O)O)CCC3C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H42O3/c1-15(5-8-22(27)28)19-6-7-20-23-16(2)13-17-14-18(26)9-11-24(17,3)21(23)10-12-25(19,20)4/h15-21,23,26H,5-14H2,1-4H3,(H,27,28)/t15-,16?,17-,18-,19-,20+,21+,23+,24+,25-/m1/s1
0 references
InChIKey
VUKZWUYSEFVTRB-OSWZUBHSSA-N
0 references
CAS Registry Number
96648-30-5
0 references
PubChem CID
126016
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
246478
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30914404
0 references
DSSTOX compound identifier
DTXCID901343397
0 references
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