(Q105113503)

English

IIIAVFHGMSMZIN-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₈H₇₈O₁₉

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

958.513730276 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₈O₁₉

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC3OC(C)C(O)C(O)C3O)C45CCC(C)(C)CC5C6=CCC7C8(C)CC(O)C(O)C(C)(CO)C8CCC7(C)C6(C)CC4

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Identifiers

InChI=1S/C48H78O19/c1-21-29(52)32(55)36(59)40(63-21)66-37-34(57)31(54)26(19-62-39-35(58)33(56)30(53)25(18-49)64-39)65-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(51)38(60)45(5,20-50)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3

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IIIAVFHGMSMZIN-UHFFFAOYSA-N

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1 reference

15 September 2022

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