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(Q82477029)
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English
(8xi,9xi,10xi,13xi,14xi)-6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
378.2042386799999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(=O)C=C1C(O)CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC12CCC(=O)C=C1C(O)CC1C2C(O)CC2(C)C1CC[C@]2(O)C(=O)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12?,13?,15?,16?,18?,19?,20?,21-/m0/s1
0 references
InChIKey
GNFTWPCIRXSCQF-JFQOUMBGSA-N
0 references
CAS Registry Number
3078-34-0
0 references
PubChem CID
16219485
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24804778
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90585179
0 references
DSSTOX compound identifier
DTXCID60535944
0 references
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