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(Q76422743)
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English
Xysmalogenin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[(3R,8S,10S,13S,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
3,14-Dihydroxycarda-5,20(22)-dienolide
1 reference
based on heuristic
inferred from SMILES
3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
mass
372.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-[(3S,8S,9S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₂O₄
0 references
canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CC=C5CC(O)CCC5(C)C4CCC23C
0 references
isomeric SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
0 references
found in taxon
Asclepias curassavica
2 references
stated in
New cardenolide and acylated lignan glycosides from the aerial parts of Asclepias curassavica
stated in
New cardenolide and acylated lignan glycosides from the aerial parts of Asclepias curassavica
Gomphocarpus sinaicus
2 references
stated in
Cardenolide glycosides with doubly linked sugars from Gomphocarpus sinaicus
stated in
A comparative study of the cardenolide content of different organs of Gomphocarpus sinaicus
Periploca sepium
2 references
stated in
A New Cardenolide and Two New Pregnane Glycosides from the Root Barks of Periploca sepium
stated in
Pregnanes and cardenolides from Periploca sepium
Identifiers
InChI
InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h3,11,16-19,24,26H,4-10,12-13H2,1-2H3/t16-,17+,18-,19+,21-,22+,23-/m0/s1
0 references
InChIKey
ZICGJBPBLVXOBM-MITUEXOSSA-N
0 references
CAS Registry Number
508-92-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12302371
1 reference
matched by identifier from
InChIKey
InChIKey
ZICGJBPBLVXOBM-MITUEXOSSA-N
UniChem compound ID
6184722
1 reference
stated in
UniChem
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