(Q105256679)

English

2-[(2R,4aS,6R,8aR)-4a,8-dimethyl-6-(2-methylpropanoyloxy)-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4a,8-dimethyl-6-(2-methylpropanoyloxy)-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

320.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈O₄

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canonical SMILES

O=C(O)C(=C)C1CCC2(C)CC(OC(=O)C(C)C)C=C(C)C2C1

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isomeric SMILES

C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)C(C)C)C=C(C)[C@@H]2C1

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found in taxon

Dittrichia viscosa

1 reference

stated in

Further sesquiterpene lactones from the genus Dittrichia

Identifiers

InChI

InChI=1S/C19H28O4/c1-11(2)18(22)23-15-8-12(3)16-9-14(13(4)17(20)21)6-7-19(16,5)10-15/h8,11,14-16H,4,6-7,9-10H2,1-3,5H3,(H,20,21)/t14-,15+,16+,19+/m1/s1

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InChIKey

SNTYLECWKMEVEL-DRMAHVMPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SNTYLECWKMEVEL-DRMAHVMPSA-N

(Q105256679)

2-[(2R,4aS,6R,8aR)-4a,8-dimethyl-6-(2-methylpropanoyloxy)-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

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