(Q105171706)

English

Tubeimoside III

group of stereoisomers with the chemical formula C₆₄H₁₀₀O₃₁

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

1,365.4627 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₆₄H₁₀₀O₃₁

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canonical SMILES

O=C1OCC2OC(OC3C(O)C(O)C(OC3OC4C(O)CC5(C)C6CC=C7C8CC(C)(C)CCC8(C(=O)OC9OCC(O)C(O)C9OC%10OC(C)C(OC(=O)CC(O)(C)C1)C(OC%11OCC(O)C(O)C%11O)C%10O)C(O)CC7(C)C6(C)CCC5C4(C)CO)CO)C(O)C(O)C2O

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Identifiers

InChI=1S/C64H100O31/c1-25-47-48(91-52-44(79)38(73)29(68)21-85-52)46(81)54(87-25)92-49-39(74)30(69)22-86-55(49)95-57(82)64-14-13-58(2,3)15-27(64)26-9-10-34-60(5)16-28(67)51(61(6,24-66)33(60)11-12-62(34,7)63(26,8)17-35(64)70)94-56-50(43(78)40(75)31(20-65)88-56)93-53-45(80)42(77)41(76)32(89-53)23-84-36(71)18-59(4,83)19-37(72)90-47/h9,25,27-35,38-56,65-70,73-81,83H,10-24H2,1-8H3

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MTICHQXHYUJVDV-UHFFFAOYSA-N

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15 September 2022

UniChem compound ID

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Probes And Drugs ID

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