(Q105130838)

English

[4,5-Dihydroxy-2-[[15-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 C₄₃H₇₀O₁₅

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

826.4714715400005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₇₀O₁₅

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canonical SMILES

O=C(OC1C(O)C(O)COC1OC2CCC34CC54CCC6(C)C(O)(CCC6(C)C5CC(OC7OC(CO)C(O)C(O)C7O)C3C2(C)C)C8(OC(CC8)C(O)(C)C)C)C

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Identifiers

InChI

InChI=1S/C43H70O15/c1-21(45)54-32-28(47)22(46)19-53-35(32)57-26-10-12-42-20-41(42)15-14-39(7)38(6,13-16-43(39,52)40(8)11-9-27(58-40)37(4,5)51)25(41)17-23(33(42)36(26,2)3)55-34-31(50)30(49)29(48)24(18-44)56-34/h22-35,44,46-52H,9-20H2,1-8H3

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InChIKey

JLKGXASMCRAVAK-UHFFFAOYSA-N

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PubChem CID

162898104

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JLKGXASMCRAVAK-UHFFFAOYSA-N

(Q105130838)

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

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