(Q105326631)

English

XETUTQKAGGSZGX-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₃H₉₈O₃₁

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Statements

group of stereoisomers

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oleanane triterpenoid

1 reference

oleanane triterpenoid

1,350.6092063559993 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₃H₉₈O₃₁

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canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(C)C(OC(=O)C)C(OC(=O)C)C8OC9OC(C)C(OC%10OCC(O)C(O)C%10O)C(O)C9O)CCC65CO

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Identifiers

InChI=1S/C63H98O31/c1-24-45(90-51-42(77)36(71)31(70)22-83-51)41(76)44(79)52(84-24)92-49-48(87-27(4)68)46(86-26(3)67)25(2)85-55(49)94-57(82)62-15-14-58(5,6)18-29(62)28-10-11-34-59(7)19-30(69)50(61(9,56(80)81)35(59)12-13-60(34,8)63(28,23-66)17-16-62)93-54-47(40(75)38(73)33(21-65)89-54)91-53-43(78)39(74)37(72)32(20-64)88-53/h10,24-25,29-55,64-66,69-79H,11-23H2,1-9H3,(H,80,81)

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XETUTQKAGGSZGX-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

XETUTQKAGGSZGX-UHFFFAOYSA-N

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