(Q105126559)

English

10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

group of stereoisomers with the chemical formula C₄₆H₇₄O₁₇

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

898.4926009080006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₄O₁₇

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canonical SMILES

O=CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC9OCC(O)C(O)C9O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

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found in taxon

Ardisia crenata

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stated in

Biologically active triterpenoid saponins from Ardisia japonica

Identifiers

InChI

InChI=1S/C46H74O17/c1-40(2)25-7-11-43(5)26(8-12-46-27-15-41(3,20-48)13-14-45(27,21-59-46)28(50)16-44(43,46)6)42(25,4)10-9-29(40)62-37-35(56)32(53)24(19-58-37)61-39-36(33(54)31(52)23(17-47)60-39)63-38-34(55)30(51)22(49)18-57-38/h20,22-39,47,49-56H,7-19,21H2,1-6H3

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InChIKey

JFAKXPCWZPQXLP-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105126559)

10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

Statements

Identifiers

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