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(Q82897261)
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English
3,25-Dihydroxycholest-8(14)-en-15-one
group of stereoisomers with the chemical formula C₂₇H₄₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
416.32904526799996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CCCC(C)(C)O)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CCCC(C)(C)O)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)22-16-23(29)24-20-9-8-18-15-19(28)10-13-26(18,4)21(20)11-14-27(22,24)5/h17-19,21-22,28,30H,6-16H2,1-5H3/t17-,18?,19?,21+,22?,26+,27-/m1/s1
0 references
InChIKey
DXYFRJNQUITWCN-ZYBCSFLZSA-N
0 references
CAS Registry Number
120185-34-4
0 references
PubChem CID
129075
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58531376
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60923261
0 references
DSSTOX compound identifier
DTXCID301352116
0 references
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