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(Q82995958)
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English
Androst-4-ene-3,17-diyl diheptanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
androstane steroid
1 reference
based on heuristic
inferred from SMILES
mass
514.4022102079999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₃H₅₄O₄
0 references
canonical SMILES
CCCCCCC(=O)OC1C=C2CCC3C(CCC4(C)C(OC(=O)CCCCCC)CCC34)C2(C)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4OC(=O)CCCCCC)C)C
0 references
Identifiers
InChI
InChI=1S/C33H54O4/c1-5-7-9-11-13-30(34)36-25-19-21-32(3)24(23-25)15-16-26-27-17-18-29(33(27,4)22-20-28(26)32)37-31(35)14-12-10-8-6-2/h23,25-29H,5-22H2,1-4H3/t25-,26-,27-,28-,29-,32-,33-/m0/s1
0 references
InChIKey
HRJJFVJCPGNUMA-HFETUNNBSA-N
0 references
CAS Registry Number
81340-54-7
0 references
PubChem CID
133653
1 reference
matched by identifier from
InChIKey
InChIKey
HRJJFVJCPGNUMA-HFETUNNBSA-N
UniChem compound ID
58511158
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501001931
1 reference
matched by identifier from
InChIKey
InChIKey
HRJJFVJCPGNUMA-HFETUNNBSA-N
DSSTOX compound identifier
DTXCID601428871
0 references
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