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(Q105152432)
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English
6-[18-Hydroxy-7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-(3,4,5-trihydroxyoxan-2-yl)oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
group of stereoisomers with the chemical formula C₄₁H₆₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
768.4659922360003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₁H₆₈O₁₃
0 references
canonical SMILES
O=C(CCC(C)C1C(OC2OCC(O)C(O)C2O)CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC75CC47C(O)CC13C)C(C)C
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Identifiers
InChI
InChI=1S/C41H68O13/c1-19(2)21(43)9-8-20(3)29-23(52-35-33(49)30(46)22(44)17-51-35)14-38(6)26-11-10-25-37(4,5)28(54-36-34(50)32(48)31(47)24(16-42)53-36)12-13-40(25)18-41(26,40)27(45)15-39(29,38)7/h19-20,22-36,42,44-50H,8-18H2,1-7H3
0 references
InChIKey
LIYVVIWBARRHGR-UHFFFAOYSA-N
0 references
PubChem CID
162984874
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LIYVVIWBARRHGR-UHFFFAOYSA-N
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