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(Q105146568)
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English
Benthamic acid methyl ester
group of stereoisomers with the chemical formula C₃₁H₅₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
486.3709100799999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₅₀O₄
0 references
canonical SMILES
O=C(OC)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
0 references
found in taxon
Arbutus unedo
1 reference
stated in
Potential cancer chemopreventive agents from Arbutus unedo
Identifiers
InChI
InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3
0 references
InChIKey
KVKFKYPXEAKDHI-UHFFFAOYSA-N
0 references
PubChem CID
601647
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVKFKYPXEAKDHI-UHFFFAOYSA-N
UniChem compound ID
44937013
1 reference
stated in
UniChem
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