(Q105225969)

English

[4,5-Diacetyloxy-6-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl] acetate

group of stereoisomers with the chemical formula C₄₆H₇₂O₁₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

880.482036224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₇₂O₁₆

0 references

canonical SMILES

O=C(OC1COC(OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5CC(OC7OCC(O)C(O)C7O)C3C2(C)C)C8(OC(CC8)C(O)(C)C)C)C(OC(=O)C)C1OC(=O)C)C

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found in taxon

Astragalus trojanus

1 reference

stated in

Secondary metabolites from the roots of Astragalus trojanus

Identifiers

InChI

InChI=1S/C46H72O16/c1-22(47)57-28-20-56-39(35(59-24(3)49)34(28)58-23(2)48)61-30-12-14-46-21-45(46)16-15-42(8)36(44(10)13-11-31(62-44)41(6,7)54)25(50)18-43(42,9)29(45)17-27(37(46)40(30,4)5)60-38-33(53)32(52)26(51)19-55-38/h25-39,50-54H,11-21H2,1-10H3

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InChIKey

QQPGLTDVCLNSQZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQPGLTDVCLNSQZ-UHFFFAOYSA-N

(Q105225969)

[4,5-Diacetyloxy-6-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl] acetate

Statements

Identifiers

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