(Q105119795)

English

(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(2-methylcrotonoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(1,8a-Dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

1 reference

C₂₀H₂₈O₃

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canonical SMILES

O=C(OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C)C(=CC)C

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isomeric SMILES

C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C

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found in taxon

Ligularia kanaitzensis

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stated in

Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences

Ligularia lamarum

1 reference

stated in

Overlapping chemical and genetic diversity in Ligularia lamarum and Ligularia subspicata. Isolation of ten new eremophilanes and a new seco-bakkane compound

Camptacra gracilis

2 references

stated in

Overlapping chemical and genetic diversity in Ligularia lamarum and Ligularia subspicata. Isolation of ten new eremophilanes and a new seco-bakkane compound

stated in

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Ligularia subspicata

2 references

stated in

Overlapping chemical and genetic diversity in Ligularia lamarum and Ligularia subspicata. Isolation of ten new eremophilanes and a new seco-bakkane compound

stated in

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Identifiers

InChI

InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7+/t14-,16-,18+,20+/m0/s1

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InChIKey

ISTBXSFGFOYLTM-GIFVBJMHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISTBXSFGFOYLTM-GIFVBJMHSA-N

1 reference

(Q105119795)

(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(2-methylcrotonoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

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