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(Q104961154)
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English
7,12,16-Trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
group of stereoisomers with the chemical formula C₃₆H₅₄O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
646.371697928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₄O₁₀
0 references
canonical SMILES
O=C1OC(CC=C1C)C(C)C2CCC3(C)C4CCC5C(C(=O)O)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC75CC47CCC23C
0 references
found in taxon
Abrus fruticulosus
1 reference
stated in
Semisynthesis of abrusoside A methyl ester
Abrus precatorius
1 reference
stated in
Semisynthesis of abrusoside A methyl ester
Identifiers
InChI
InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)
0 references
InChIKey
CJHYXUPCGHKJOO-UHFFFAOYSA-N
0 references
PubChem CID
4483249
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CJHYXUPCGHKJOO-UHFFFAOYSA-N
UniChem compound ID
24074617
1 reference
stated in
UniChem
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