(Q105344672)

English

Congmunoside XII

group of stereoisomers with the chemical formula C₆₅H₁₀₆O₃₂

In more languages

Statements

group of stereoisomers

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oleanane triterpenoid

1 reference

oleanane triterpenoid

1,398.666721232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₅H₁₀₆O₃₂

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OC(COC%11OC(CO)C(O)C(O)C%11O)C(O)C(O)C%10O)C(C)(C)C7CCC6(C)C5(C)CC3

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1 reference

Four new saponins from the root bark of Aralia elata

Identifiers

InChI=1S/C65H106O32/c1-60(2)14-16-65(59(85)97-57-50(84)45(79)40(74)32(93-57)24-88-54-47(81)42(76)37(71)29(20-67)90-54)17-15-63(6)25(26(65)18-60)8-9-34-62(5)12-11-35(61(3,4)33(62)10-13-64(34,63)7)94-58-52(51(27(69)22-86-58)95-55-48(82)43(77)38(72)30(21-68)91-55)96-56-49(83)44(78)39(73)31(92-56)23-87-53-46(80)41(75)36(70)28(19-66)89-53/h8,26-58,66-84H,9-24H2,1-7H3

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XYUAQIXBEQTBRE-UHFFFAOYSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

XYUAQIXBEQTBRE-UHFFFAOYSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XYUAQIXBEQTBRE-UHFFFAOYSA-N

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