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(Q105252004)
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English
Oleanderolide 3-acetate
group of stereoisomers with the chemical formula C₃₂H₅₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
514.7376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₀O₅
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CC(O)C45OC(=O)C6(CCC(C)(C)CC64)CCC53C)C1(C)C)C
0 references
Identifiers
InChI
InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3
0 references
InChIKey
SFSFDBPTPLSWRM-UHFFFAOYSA-N
0 references
PubChem CID
85319558
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFSFDBPTPLSWRM-UHFFFAOYSA-N
ChEBI ID
175900
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3
UniChem compound ID
31994163
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034647
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFSFDBPTPLSWRM-UHFFFAOYSA-N
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