(Q105269596)

English

UBQNIALOTUBOSI-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₃H₁₀₀O₃₁

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

1,352.6248564199993 dalton

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based on heuristic

inferred from InChI

chemical formula

C₆₃H₁₀₀O₃₁

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)CC54C)C2(C)C)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O

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Identifiers

InChI=1S/C63H100O31/c1-23-45(89-52-43(78)46(28(67)22-84-52)90-51-39(74)34(69)26(65)20-83-51)38(73)41(76)53(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68)88-55-44(79)47(42(77)48(92-55)50(80)81)91-54-40(75)37(72)36(71)29(19-64)87-54/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)

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UBQNIALOTUBOSI-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

UBQNIALOTUBOSI-UHFFFAOYSA-N

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