(Q105018818)

English

GTIJSJBILWMFPO-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₉H₉₄O₂₈

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Statements

group of stereoisomers

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oleanane triterpenoid

1 reference

oleanane triterpenoid

1,250.593162368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₉₄O₂₈

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canonical SMILES

O=CC1(C)C(OC2OC(CO)C(O)C(O)C2O)CCC3(C)C1CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC9OCC(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C(O)CC54C

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Acanthophyllum squarrosum

1 reference

Two new biologically active triterpene saponins from Acanthophyllum squarrosum

Identifiers

InChI=1S/C59H94O28/c1-23-34(65)39(70)44(75)49(80-23)85-46-35(66)26(63)20-78-51(46)86-47-42(73)38(69)29(21-79-48-43(74)40(71)36(67)27(18-60)81-48)83-52(47)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-45(76)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3

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GTIJSJBILWMFPO-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

GTIJSJBILWMFPO-UHFFFAOYSA-N

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