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(Q105223049)
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English
2-O-b-D-Glucopyranosylcucurbitacin E
group of stereoisomers with the chemical formula C₃₈H₅₄O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cucurbitane triterpenoid
1 reference
inferred from
cucurbitane triterpenoid
mass
718.356441788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₅₄O₁₃
0 references
canonical SMILES
O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C
0 references
found in taxon
Citrullus lanatus
1 reference
stated in
Bioactive saponins and glycosides. XXVII. Structures of new cucurbitane-type triterpene glycosides and antiallergic constituents from Citrullus colocynthis
Identifiers
InChI
InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3
0 references
InChIKey
QKEJRKXVLGOJMB-UHFFFAOYSA-N
0 references
PubChem CID
301265
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QKEJRKXVLGOJMB-UHFFFAOYSA-N
UniChem compound ID
58514124
1 reference
stated in
UniChem
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