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English
Pregnane-2,2,3,3-tetrol
group of stereoisomers with the chemical formula C₂₁H₃₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
352.261359632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1CCC2C3CCC4CC(O)(O)C(O)(O)CC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)C(O)(O)C[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H36O4/c1-4-13-6-8-16-15-7-5-14-11-20(22,23)21(24,25)12-19(14,3)17(15)9-10-18(13,16)2/h13-17,22-25H,4-12H2,1-3H3/t13-,14?,15-,16-,17-,18+,19-/m0/s1
0 references
InChIKey
ZUHCTVQQGFQGSP-OAGGQNOISA-N
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CAS Registry Number
72692-11-6
0 references
PubChem CID
186876
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67300996
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30993517
0 references
DSSTOX compound identifier
DTXCID001420562
0 references
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