(Q105244511)

English

RSAXVFSHKFANIB-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₈H₇₈O₂₁

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

990.503559516 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₈O₂₁

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C4(C)CC2

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Identifiers

InChI=1S/C48H78O21/c1-43(2)9-11-48(42(63)69-41-36(62)32(58)29(55)25(17-50)66-41)12-10-46(5)20(21(48)13-43)7-8-27-44(3)14-23(53)38(45(4,19-51)37(44)22(52)15-47(27,46)6)68-40-35(61)33(59)30(56)26(67-40)18-64-39-34(60)31(57)28(54)24(16-49)65-39/h7,21-41,49-62H,8-19H2,1-6H3

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RSAXVFSHKFANIB-UHFFFAOYSA-N

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1 reference

15 September 2022

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