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(Q105282785)
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English
VAJYUKIWYNMLOC-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₈H₇₈O₁₈
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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
942.518815656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₇₈O₁₈
0 references
canonical SMILES
O=C(O)C12CCC3(C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C(C)(C)C5CCC43C)C2C(C)C(C)C(OC8OC(CO)C(O)C(O)C8O)C1)C
0 references
found in taxon
Ilex latifolia
1 reference
stated in
Latifolosides K and L, two new triterpenoid saponins from the bark of Llex latifolia
Identifiers
InChI
InChI=1S/C48H78O18/c1-20-21(2)30-23-9-10-28-45(6)13-12-29(65-42-39(36(56)33(53)26(19-50)64-42)66-40-37(57)34(54)31(51)22(3)61-40)44(4,5)27(45)11-14-47(28,8)46(23,7)15-16-48(30,43(59)60)17-24(20)62-41-38(58)35(55)32(52)25(18-49)63-41/h9,20-22,24-42,49-58H,10-19H2,1-8H3,(H,59,60)
0 references
InChIKey
VAJYUKIWYNMLOC-UHFFFAOYSA-N
0 references
PubChem CID
85238259
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
VAJYUKIWYNMLOC-UHFFFAOYSA-N
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