(Q105015665)

English

2-[(2R,4S,4aR,8aR)-4-acetyloxy-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

chemical compound

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type of chemical entity

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subclass of

2-(4-acetyloxy-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄O₅

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canonical SMILES

O=C(O)C(=C)C1CC(OC(=O)C)C2(C)CCCC(=C)C2(O)C1

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isomeric SMILES

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

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found in taxon

Artemisia biennis

1 reference

stated in

New eudesmane derivatives fromArtemisia tournefortiana

Artemisia tournefortiana

1 reference

stated in

New eudesmane derivatives fromArtemisia tournefortiana

Identifiers

InChI

InChI=1S/C17H24O5/c1-10-6-5-7-16(4)14(22-12(3)18)8-13(9-17(10,16)21)11(2)15(19)20/h13-14,21H,1-2,5-9H2,3-4H3,(H,19,20)/t13-,14+,16-,17-/m1/s1

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InChIKey

GRAPHCHSEGTYRN-YALNPMBYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRAPHCHSEGTYRN-YALNPMBYSA-N

(Q105015665)

2-[(2R,4S,4aR,8aR)-4-acetyloxy-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

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