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(Q105121390)
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English
1-[17-[1-(Dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
group of stereoisomers with the chemical formula C₂₉H₄₆N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
azetidine alkaloid
1 reference
inferred from
azetidine alkaloid
mass
454.355928712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₆N₂O₂
0 references
canonical SMILES
O=C1C(=CCC2(C)C1CCC3C4CCC(C(N(C)C)C)C4(C)CCC32)N5C(=O)C(C5)C(C)C
0 references
found in taxon
Pachysandra procumbens
1 reference
stated in
Activity-guided isolation of steroidal alkaloid antiestrogen-binding site inhibitors from Pachysandra procumbens
Identifiers
InChI
InChI=1S/C29H46N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h13,17-24H,8-12,14-16H2,1-7H3
0 references
InChIKey
IVYPSBIZZDNZBC-UHFFFAOYSA-N
0 references
PubChem CID
75051845
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IVYPSBIZZDNZBC-UHFFFAOYSA-N
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