(Q105305898)

English

[(1R,4R,7S,8S,9R,11S,12S)-7-ethoxy-12-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-Ethoxy-12-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

340.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₂O₅

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canonical SMILES

O=C(OC1CC(C)C2C(OCC)OCC3(C)CC(C)(C)C1C23O)C

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isomeric SMILES

CCO[C@H]1OC[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O

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found in taxon

Botrytis cinerea

1 reference

stated in

Metabolites from a shake culture of Botrytis cinerea

Identifiers

InChI

InChI=1S/C19H32O5/c1-7-22-16-14-11(2)8-13(24-12(3)20)15-17(4,5)9-18(6,10-23-16)19(14,15)21/h11,13-16,21H,7-10H2,1-6H3/t11-,13+,14-,15+,16+,18-,19-/m1/s1

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InChIKey

WHUXVDLUTVAUME-VPCUOFJISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WHUXVDLUTVAUME-VPCUOFJISA-N

(Q105305898)

[(1R,4R,7S,8S,9R,11S,12S)-7-ethoxy-12-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate

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Identifiers

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