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(Q105124775)
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English
JCFOXVKGSJUKTN-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₅₃H₉₀O₂₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
protostane/dammarane triterpenoid
1 reference
inferred from
protostane/dammarane triterpenoid
mass
1,094.5872891400006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₃H₉₀O₂₃
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5CC(O)C6C(CCC6(C)C5(C)CC(O)C4C3(C)C)C(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)(C)CCC=C(C)C)CO)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C53H90O23/c1-22(2)10-9-13-53(8,76-47-42(68)38(64)36(62)29(73-47)21-70-45-40(66)33(59)26(58)20-69-45)23-11-15-51(6)32(23)24(56)16-30-50(5)14-12-31(49(3,4)44(50)25(57)17-52(30,51)7)74-48-43(39(65)35(61)28(19-55)72-48)75-46-41(67)37(63)34(60)27(18-54)71-46/h10,23-48,54-68H,9,11-21H2,1-8H3
0 references
InChIKey
JCFOXVKGSJUKTN-UHFFFAOYSA-N
0 references
PubChem CID
163089507
1 reference
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
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