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(Q104918512)
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English
5-[(1R,2S,4R,6R,7R,10S,11S,14R,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
resibufogenin
1 reference
based on heuristic
inferred from SMILES
mass
384.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Resibufogenin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₂O₄
0 references
canonical SMILES
O=C1OC=C(C=C1)C2CC3OC34C5CCC6CC(O)CCC6(C)C5CCC24C
0 references
isomeric SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312
0 references
found in taxon
Common toad
1 reference
stated in
Hematological Studies on Naturally Occurring Substances. VI. Effects of an Animal Crude Drug "Chan Su"(Bufonis Venenum)on Blood Coagulation, Platelet Aggregation, Fibrinolysis System and Cytotoxicity
Identifiers
InChI
InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16-,17+,18-,19-,20-,22+,23-,24-/m1/s1
0 references
InChIKey
ATLJNLYIJOCWJE-GBXHWQOESA-N
0 references
PubChem CID
70684536
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27281818
1 reference
stated in
UniChem
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