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(Q105118900)
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English
IRJDRINEGANBIK-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₈H₇₈O₁₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
942.518815656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₇₈O₁₈
0 references
canonical SMILES
OCC1OC(OC2C(O)C(OC(OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)CO)C2OC9OC(CO)C(O)C(O)C9O)C)C(O)C(O)C1O
0 references
found in taxon
Buddleja officinalis
1 reference
stated in
Terpenoids in Buddleja: relevance to chemosystematics, chemical ecology and biological activity
Identifiers
InChI
InChI=1S/C48H78O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3
0 references
InChIKey
IRJDRINEGANBIK-UHFFFAOYSA-N
0 references
PubChem CID
78178010
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
IRJDRINEGANBIK-UHFFFAOYSA-N
UniChem compound ID
83287392
1 reference
stated in
UniChem
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