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(Q105216753)
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English
chikusetsusaponin V methyl ester
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
970.5137302760006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₉H₇₈O₁₉
0 references
canonical SMILES
O=C(OC)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-36(59)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-38(34(57)33(56)37(66-42)39(60)62-8)67-40-35(58)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3
0 references
InChIKey
PYRYQDQZMLGNFX-UHFFFAOYSA-N
0 references
PubChem CID
14447752
1 reference
matched by identifier from
InChIKey
InChIKey
PYRYQDQZMLGNFX-UHFFFAOYSA-N
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