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(Q82081992)
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NSC403165
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
oleanane triterpenoid
0 references
mass
468.396730904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₂O₂
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5=CC(C)(C)CCC5(C)CCC43C)C1(C)C)C
0 references
found in taxon
Cnidoscolus texanus
1 reference
stated in
Flavonoids, coumarins and triterpenes from the aerial parts of Cnidoscolus texanus
Goniophlebium niponicum
1 reference
stated in
Triterpenoids from the fern Goniophlebium mengtzeense
Identifiers
InChI
InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h20,22,24-26H,10-19H2,1-9H3
0 references
InChIKey
FKMDSFSBFAGDCK-UHFFFAOYSA-N
0 references
CAS Registry Number
10225-47-5
0 references
PubChem CID
345509
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FKMDSFSBFAGDCK-UHFFFAOYSA-N
UniChem compound ID
43331522
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60323146
1 reference
matched by identifier from
InChIKey
InChIKey
FKMDSFSBFAGDCK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60274265
0 references
NSC number
403165
0 references
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