(Q104981865)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9,11-Eremophiladien-8-one

1 reference

based on heuristic

inferred from SMILES

mass

218.167065324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O

0 references

canonical SMILES

O=C1C=C2CCCC(C)C2(C)CC1C(=C)C

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isomeric SMILES

C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C

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found in taxon

Ligularia kanaitzensis

1 reference

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

Senecio linearifolius

1 reference

stated in

Co-occurrence of pyrrolizidine alkaloids and acylpyrrols in Senecio magnificus and constituents of other australian Senecio species

Identifiers

InChI

InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13-,15+/m0/s1

0 references

InChIKey

DIZRSLUNVNGBPA-CORIIIEPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DIZRSLUNVNGBPA-CORIIIEPSA-N

1 reference

(Q104981865)

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

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