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(Q82894505)
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English
2-[(11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfanyl]-N,N-diethylacetamide
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
491.27054441199994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₁NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN(CC)C(=O)CSCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCN(CC)C(=O)CSCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H41NO5S/c1-5-28(6-2)23(32)16-34-15-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19?,20?,21-,24?,25-,26-,27-/m0/s1
0 references
InChIKey
AEPCCILPSNUTKH-FNDRNOHDSA-N
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CAS Registry Number
114967-91-8
0 references
PubChem CID
3087528
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58806068
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90921573
0 references
DSSTOX compound identifier
DTXCID601350464
0 references
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