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(Q83005430)
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English
3-Hydroxyandrostan-7-yl hydrogen disulfate
group of stereoisomers with the chemical formula C₁₉H₃₂O₈S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
452.15385998399995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₂O₈S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCCC1C1C(OS(=O)(=O)OS(=O)(=O)O)CC3CC(O)CCC3(C)C1CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]12CCC[C@H]1[C@@H]1C(OS(=O)(=O)OS(=O)(=O)O)CC3CC(O)CC[C@]3(C)[C@H]1CC2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H32O8S2/c1-18-7-3-4-14(18)17-15(6-8-18)19(2)9-5-13(20)10-12(19)11-16(17)26-29(24,25)27-28(21,22)23/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12?,13?,14-,15-,16?,17-,18-,19-/m0/s1
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InChIKey
CYYNAUNXFCXECI-RNJGBNSYSA-N
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CAS Registry Number
89453-66-7
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PubChem CID
57355524
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62516296
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101008828
0 references
DSSTOX compound identifier
DTXCID101435659
0 references
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