(Q82958520)

English

Methyl 4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

cembrane

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mass

372.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₆

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canonical SMILES

O=C(OC)C=1C=C2OC1CC(C(=C)C)CCC3=CC(OC3=O)CC4(OC24)C

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Identifiers

InChI

InChI=1S/C21H24O6/c1-11(2)12-5-6-13-7-14(25-19(13)22)10-21(3)18(27-21)17-9-15(20(23)24-4)16(8-12)26-17/h7,9,12,14,18H,1,5-6,8,10H2,2-4H3

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InChIKey

PPHCYWKQJLNLQQ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PPHCYWKQJLNLQQ-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

PPHCYWKQJLNLQQ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID701401719

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(Q82958520)

Methyl 4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate

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