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English
Stigmastan-7-one
group of stereoisomers with the chemical formula C₂₉H₅₀O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
414.38616622
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₅₀O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(CCC(C)C1CCC2C3C(=O)CC4CCCCC4(C)C3CCC12C)C(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)CC4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h19-25,27H,7-18H2,1-6H3/t20-,21-,22?,23-,24+,25+,27+,28+,29-/m1/s1
0 references
InChIKey
IHBBNGVGNBHNFF-MVYDIJGGSA-N
0 references
CAS Registry Number
55331-88-9
0 references
PubChem CID
22212744
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55478756
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30623428
0 references
DSSTOX compound identifier
DTXCID70574182
0 references
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