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(Q82659617)
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English
(3beta)-3,26-Dihydroxycholest-5-en-7-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(CO)CCCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=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/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-23,25,28-29H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
0 references
InChIKey
LFNAJBFFWWMSEW-ANDJGGKNSA-N
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CAS Registry Number
148988-28-7
0 references
PubChem CID
57307033
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24321089
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30720800
0 references
DSSTOX compound identifier
DTXCID30671545
0 references
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