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(Q82944335)
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English
17-Hydroxy-3,11,20-trioxopregn-1-en-21-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
1 reference
based on heuristic
inferred from SMILES
mass
402.20423867999995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₃₀O₆
0 references
canonical SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)C=CC4(C)C3C(=O)CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(C=CC(=O)C4)C)C)O
0 references
Identifiers
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,14,16-17,20,28H,4-5,7,9-12H2,1-3H3/t14-,16+,17+,20-,21+,22+,23+/m1/s1
0 references
InChIKey
KSUOHHAFKLCGAB-LPEMZKRWSA-N
0 references
CAS Registry Number
4269-76-5
0 references
PubChem CID
225758
1 reference
matched by identifier from
InChIKey
InChIKey
KSUOHHAFKLCGAB-LPEMZKRWSA-N
UniChem compound ID
60240311
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50962624
1 reference
matched by identifier from
InChIKey
InChIKey
KSUOHHAFKLCGAB-LPEMZKRWSA-N
DSSTOX compound identifier
DTXCID301390421
0 references
NSC number
15476
0 references
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