(Q105343613)

English

2-[(2S,4S,4aS,8aS)-4-acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-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-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄O₄

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canonical SMILES

O=C(O)C(=C)C1CC(OC(=O)C)C2(C)CCCC(=C)C2C1

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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@@H]2C1

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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/C17H24O4/c1-10-6-5-7-17(4)14(10)8-13(11(2)16(19)20)9-15(17)21-12(3)18/h13-15H,1-2,5-9H2,3-4H3,(H,19,20)/t13-,14-,15-,17-/m0/s1

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InChIKey

XWMQVMSNUBGDNJ-JKQORVJESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XWMQVMSNUBGDNJ-JKQORVJESA-N

(Q105343613)

2-[(2S,4S,4aS,8aS)-4-acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

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