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(Q105112456)
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English
IFYHLPBBPBCPBM-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₈H₇₆O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
956.4980802120006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₈H₇₆O₁₉
0 references
canonical SMILES
O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(CO)CCC5(C(=O)OC6OC(COC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC43C
0 references
Identifiers
InChI
InChI=1S/C48H76O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,21-22,24-41,49-50,52-60H,8-20H2,1-6H3
0 references
InChIKey
IFYHLPBBPBCPBM-UHFFFAOYSA-N
0 references
PubChem CID
73049650
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
IFYHLPBBPBCPBM-UHFFFAOYSA-N
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