(Q105352448)

English

[4,5-Diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-2-carboxylate

group of stereoisomers with the chemical formula C₃₅H₄₂O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

686.2574560240001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₂O₁₄

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canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(COC(=O)C(C)C)C(OC(=O)C)C(OC(=O)C)CC(O)(C)C43OC(C)(C)C1C4O)C=5OC=CC5

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Identifiers

InChI

InChI=1S/C35H42O14/c1-18(2)29(39)44-17-34-27(46-20(4)37)23(45-19(3)36)16-33(7,42)35(34)26(38)24(32(5,6)49-35)25(47-31(41)22-14-11-15-43-22)28(34)48-30(40)21-12-9-8-10-13-21/h8-15,18,23-28,38,42H,16-17H2,1-7H3

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InChIKey

YQPDCBWWZAUMHW-UHFFFAOYSA-N

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PubChem CID

85324559

1 reference

based on heuristic

inferred from InChIKey

(Q105352448)

[4,5-Diacetyloxy-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-2-carboxylate

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Identifiers

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