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(Q104939411)
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English
21-Hydroxypregna-4,6-diene-3,12,20-trione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
0 references
mass
342.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₄
0 references
canonical SMILES
O=C1C=C2C=CC3C(CC(=O)C4(C)C(C(=O)CO)CCC34)C2(C)CC1
0 references
isomeric SMILES
C[C@]12C(=O)C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
0 references
found in taxon
Nerium indicum
2 references
stated in
Bioactive pregnanes from Nerium oleander.
stated in
Bioactive cardenolides from the stems and twigs of Nerium oleander.
Nerium oleander
2 references
stated in
Bioactive pregnanes from Nerium oleander.
stated in
Bioactive cardenolides from the stems and twigs of Nerium oleander.
Identifiers
InChI
InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h3-4,9,14-17,22H,5-8,10-11H2,1-2H3/t14-,15-,16+,17-,20-,21-/m0/s1
0 references
InChIKey
BORCINXYCLOGNE-QPQISGKWSA-N
0 references
PubChem CID
16104852
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BORCINXYCLOGNE-QPQISGKWSA-N
UniChem compound ID
59684
1 reference
stated in
UniChem
LIPID MAPS ID
LMST02030259
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
31 December 2022
InChIKey
BORCINXYCLOGNE-QPQISGKWSA-N
based on heuristic
InChIKey match
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