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(Q105328992)
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English
XJIPREFALCDWRQ-UHFFFAOYSA-N
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
cucurbitane triterpenoid
1 reference
inferred from
cucurbitane triterpenoid
mass
1,124.597853824
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₄H₉₂O₂₄
0 references
canonical SMILES
OCC1OC(OCC2OC(OC(CCC(C)C3CCC4(C)C5CC=C6C(CCC(OC7OC(CO)C(O)C(O)C7O)C6(C)C)C5(C)C(O)CC34C)C(O)(C)C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C2O)C(O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3
0 references
InChIKey
XJIPREFALCDWRQ-UHFFFAOYSA-N
0 references
PubChem CID
14525333
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XJIPREFALCDWRQ-UHFFFAOYSA-N
UniChem compound ID
69894629
1 reference
stated in
UniChem
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