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(Q115951220)
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English
OBCDHLXIXXFJFL-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₅₃H₈₆O₂₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
1,074.561074392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₃H₈₆O₂₂
0 references
canonical SMILES
O=C(OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OCC9OCC(O)C(O)C9O)C(O)(C)C8CCC7(C)C6(C)CC4
0 references
found in taxon
Pulsatilla dahurica
1 reference
stated in
Triterpene glycosides of Pulsatilla dahurica structures of glycosides A, B, C, and D
Identifiers
InChI
InChI=1S/C53H86O22/c1-23-33(56)37(60)40(63)45(71-23)74-43-27(19-54)72-44(42(65)39(43)62)70-22-29-36(59)38(61)41(64)46(73-29)75-47(66)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-32(69-21-28-35(58)34(57)26(55)20-68-28)52(7,67)31(49)10-13-51(30,6)50(24,5)15-17-53/h8,23,25-46,54-65,67H,9-22H2,1-7H3
0 references
InChIKey
OBCDHLXIXXFJFL-UHFFFAOYSA-N
0 references
PubChem CID
163081023
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OBCDHLXIXXFJFL-UHFFFAOYSA-N
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